Alcohol

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Alcohol

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Ethanol

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SMILES:CCO

InChI:InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

InChI key:LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Synonyms: ALCOHOL [WHO-IP], CDA 19,Ethyl alcohol, Pure, 200 proof, meets USP testing specifications,Ethanol, dehydrated,UN 1170,Alcohol, dehydrated,Ethanol, technical grade, 99.5%, Ethylalcohol [Dutch],DEHYDRATED ALCOHOL [USP MONOGRAPH], Alcohol etilico,Ethyl alcohol, Pure, 200 proof, ACS reagent, >=99.5%, Desinfektol EL, Alcool etilico,Ethyl alcohol, Pure, 140 proof, Excise Tax-free, Permit for use required,Ethyl Alcohol 95% ACS/USP Grade,ETHYL ALCOHOL [MI],ALCOHOL [II],Ethyl Alcohol 75%,Ethanol, for residue analysis,Ethanol, BioUltra, for molecular biology, >=99.8%, (absolute alcohol, without additive, A15 o1),Ethyl alcohol,Ethanol, UV HPLC spectroscopic, 95%,EINECS 200-578-6,ETHANOL IN ALCOHOLIC BEVERAGES [IARC],Aerosol&trade; OT Solution, EOH,Specially Denatured Alcohol, 200 proof, SDA 3A, contains Methanol,Specially Denatured Alcohol, 190 proof, SDA 3C, contains Isopropanol,Ethanol, 95.0%, (190 proof),Alcoholum,Reagent Alcohol, 95%, Alcohols, C6-9,Ethanol, denatured, (UK IDA standard),Ethyl alcohol, Pure, 200 proof, anhydrous, >=99.5%,EOH,Ethyl Alcohol Absolute (Dehydrated, Synthetic) USP, BP/EP, JP Grade,Absolute ethyl alcohol,Alcohol,dehydrated, Ethylalcohol,C2H5OH,Ethanol (9CI),SR-01000944357,Ethyl alcohol, absolute,Alcohol determination--alcohol,CDA 19, CDA 19-200,STR05604, Tecsol C,Ethanol, absolute, denaturated with 0.5-1.5 Vol.% 2-butanone and approx. 0.001% Bitrex (GC), >=98% (GC),Reagent Alcohol, anhydrous, <=0.005% water,Ethanol solution, NIST(R) SRM(R) 2898a, nominal mass fraction 6%, Ethanol Absolute,Ethanol, anhydrous, denatured, Spectrophotometric Grade,Ethanol, JIS special grade, 94.8-95.8%,Alcool ethylique [French],Alcohol (USP),Specially Denatured Alcohol, 200 proof, SDA 35A, contains Ethyl acetate,Denatured alcohol SD-39b, Alkohol,Reagent Alcohol, for HPLC,Distilled spirits,Alcohol [USP],Ethanol, absolute, semiconductor grade PURANAL(TM) (Honeywell 17833), sales not in Germany, >=99.8% (vol.), Thanol,Ethanol solution, NIST(R) SRM(R) 2899a, nominal 25% by mass,PM-6193-200,3K9958V90M,Hydroxyethane,Ethyl alcohol, Pure, 200 proof, HPLC/spectrophotometric grade, Sekundasprit,Alcohol denatured,Alkohol, Alcohols,undenatured Ethanol,Ethanol, analytical standard, Aethanol [German],Ethanol, JIS first grade, 94.8-95.8%, Alcool ethylique, AHD 2000,Alcohols, C13-15,Specially Denatured Alcohol, 200 proof, SDA 39C, contains Diethyl phthalate, EtOH,Ethyl Alcohol 47.5%,Ethanol 200 proof,Specially Denatured Alcohol, 190 proof, SDA 2B-5, contains n-Hexane,Cologne spirits (alcohol),Ethanol solution, NIST(R) SRM(R) 2897a, nominal mass fraction 2%,Ethyl alcohol, Pure, 140 proof, meets water USP testing specifications, Excise Tax-free, Permit for use required,beer,ethanol, Spiritus vini,CHEBI:16236,Alcare Hand Degermer,Punctilious ethyl alcohol,Ethanol, puriss. p.a., ACS reagent, prima fine spirit, without additive, F15 o1, ~96%,NSC85228,Ethanol, >=99.5%, suitable for fluorescence,Ethanol, SAJ first grade, >=99.5%,etanol,Ethanol-80, 80 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material,Ethyl alcohol, dehydrated, Absolute alcohol, Ethyl hydrate,Ethanol 70%, denatured with 1% MEK, 1% IPA, 10 mg/L,SR-01000944357-1,Alcohol 190 proof,Ethyl Alcohol 95% (Synthetic) ACS/USP Grade,Alcohol, denatured,DTXSID101057201,Ethanol-200 (5 ampules/kit), 200 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material, Alcohol, dehydrated,Ethyl alcohol, Pure, 160 proof, Excise Tax-free, Permit for use required,Ethanol, denatured,Anhydrous ethanol, Ethanol [JAN],ALCOHOL DENAT.,Ethylol,Ethanol, absolute, for HPLC, >=99.8%, Alkoholu etylowego,Ethanol-400 (5 ampules/kit), 400 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material,GTPL2299,Alkoholu etylowego [Polish],Ethanol, p.a., 99.8%,Reagent Alcohol, used for histology tissue preparation,Ethanol, puriss., meets analytical specification of Ph.??Eur., BP, 96.0-97.2%,Ethanol standards 10% (v/v), 10 % (v/v) in H2O, analytical standard, Anhydrous ethanol, Alcare Hand Degermer,Ethyl hydrate,Ethanolum,Ethyl alcohol & water, 20%,Ethyl Alcohol 80%, Molasses alcohol,Ethanol, technical grade,Denatured alcohol SD-30,hooch,Thanol,Denatured alcohol CD-5,ETHANOLUM [WHO-IP LATIN],spiritus vini,Ethanol, technical grade, 93%,D00068, SDA 40-2,ETHYL ALCOHOL [FHFI],Ethanol, purum, absolute ethanol, denaturated with 4.8% isopropanol, A15 IPA1, >=99.8% (based on denaturant-free substance), Tecsol,DTXSID9020584,Ethanol, p.a., ACS reagent, 95.0%,Ethylalcohol,IMS 99,Duplicating Fluid 100C.NPA,Jaysol S,Reagent Alcohol, reagent grade,Ethanol, dimer,Ethyl alcohol & water, 96%,Anhydrous ethanol (JP17),ALCOHOL COMPONENT OF AVAGARD,Ethanol-500, 500 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material,Ethanol-water solutions, NIST(R) SRM(R) 1828b, six levels,Ru-Tuss Expectorant (Salt/Mix),ALCOHOL, DEHYDRATED [II], Distilled spirits, Alkohol [German],Ethyl alcohol, Pure, 200 proof, anhydrous, ZerO2(TM), >=99.5%,ALCOHOL [VANDF],Molasses alcohol,AVAGARD COMPONENT ALCOHOL,Specially Denatured Alcohol, 200 proof, SDA 3C, contains Isopropanol, Alcohol anhydrous,Esumiru WK 88,ALCOHOL [ORANGE BOOK], Alcohols, C30,UNII-7528N5H79B,Ethanol [JAN], Absolute ethanol,FT-0625731,Ethanol, technical grade, 99%,Edible alcohol, Alcohol, ethyl,Aethylalkohol [German],CH3CH2OH,Ethanol, technical grade, 92.6-93.8,ALCOHOL 5% IN DEXTROSE 5%,Ethanol, 95.1-96.9%,Denatured alcohol SD-39c,AHD 2000,UNII-3K9958V90M,Sd alcohol,NCI-C03134,Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains n-Heptane, Ethicap,Ethanol, 99.8%,Ethanol solution, EP, BP, 69.5-70.4%,DSSTox_CID_584,Alcohol, United States Pharmacopeia (USP) Reference Standard, SDA 3A,Ethanol solution,Specially Denatured Alcohol, 190 proof, SDA 23A, contains Acetone,Ethanol, USP, 94.9-96.0%,Denatured alcohol SD-40m,Ethanol, puriss., over molecular sieve (H2O <=0.01%), absolute alcohol, without additive, A15 o1, >=99.8%,Ethanol, USP, 70.0-72.0%,Algrain,Ethyl alcohol (Ethanol),E1510,MFCD00003568,Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains Heptanes,Alkohol [German], (C6-C9)Alkyl alcohol,Reagent Alcohol, ACS reagent,Ethyl alcohol, Pure, 190 proof, ACS reagent, meets USP testing specifications, Excise Tax-free, Permit for use required,Ethanol, Reagent (Denatured SDA 3A),Desinfektol EL, Denatured ethanol,Ethyl alcohol, undenatured,Alcohol, diluted,Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains Heptanes,WLN: Q2,STL264245,Tecsol C,Etylowy alkohol [Polish], Ethyl alc,ETHANOL COMPONENT OF HBN-1,Ethyl alcohol and water, Oxydimethylene Group, Methylated spirit,ANHYDROUS ETHANOL [JAN],Etylowy alkohol,Alcohol (ethyl), Etylowy alkohol,Alcohol (ethyl alcohol),Reagent Alcohol, 80%, used for histology tissue preparation,Caswell No. 430,Jaysol,Ethanol, anhydrous, denatured, HPLC Grade, Jaysol S,Ethanol, denatured, Spectrophotometric Grade,Dehydrated Alcohol, United States Pharmacopeia (USP) Reference Standard,ALCOHOL [INCI],Ethyl alcohol & water, 30%, Alcohol, anhydrous, Fermentation alcohol,Infinity Pure,Ethanol, technical grade, 93.8%,Ethyl Alcohol Absolute (Dehydrated) USP, BP/EP, JP Grade,Ethanol-water solution, NIST(R) SRM(R) 2891, nominal mass fraction 0.02%,etoh,Tecsol,Alcohol, anhydrous,poly(vinyl alcohol) macromolecule,diluted Alcohol,Ethyl hydroxide,Ethanol denatured, Aethylalkohol,Ethanol, suitable for 1000 per JIS, >=99.5%, for residue analysis,Ethyl alcohol (6CI,7CI,8CI), Anhydrous alcohol,Ethyl Alcohol Denatured,Ethyl alcohol, Pure, 190 proof, for molecular biology,Ethyl alcohol, anhydrous,Ethyl alcohol & water, 5%, EOX,Alcohol dehydrated,silent spirit,Higher alcohol distillate,EINECS 270-649-4,Reagent Alcohol, 70%,Alcool etilico,Ethyl alcohol & water, 40%,Specially Denatured Alcohol, 190 proof, SDA 40 (40-2), contains 0.14 % (v/v) tert-Butyl alcohol and Brucine sulfate,Eosin Y, Alcoholic,SY Fresh M,Ethanol, purum, fine spirit, denaturated with 2% 2-butanone, F25 MEK1, ~96% (based on denaturant-free substance),Ethyl Alcohol 40%,Ethanol-100 (10 ampules/kit), 100 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material,68475-56-9, Ethanolum anhydricum, Potato alcohol,Denatured ethanol,Denatured alcohol SD-1,Specially Denatured Alcohol, 200 proof, SDA 30, contains Methanol, 1-Hydroxyethane,Industrial Alcohol (IMS),Tox21_202510,ethyl alcohol,CCRIS 945,Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains n-Heptane,Ethanol, 200 Proof, Spirit,Specially Denatured Alcohol, 200 proof, SDA 23A, contains Acetone,Ethanol, absolute, for gradient elution, sales not in Germany, >=99.9%,CDA 19-200, Dehydrated alcohol,Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material,Specially Denatured Alcohol, 190 proof, SDA 40B, contains tert-Butyl alcohol and denatonium benzoate,Ethanol-water solution, NIST(R) SRM(R) 2893, nominal mass fraction 0.08%, Jaysol,Ethanol-water solution, NIST(R) SRM(R) 2900, nominal 95.6% by mass,ALCOHOL,ETHYL [VANDF], Spirits of wine,FEMA Number 2419,Ethanol-80, 80 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material, Ethanol (9CI), Ethanol Vapor,Ethanol, denatured (5 % IPA, 5 % n-propylacetate),Ethanol, puriss., meets analytical specification of Ph.??Eur., BP, 96% (v/v),Fermentation alcohol,Ethyl alcohol & water, 80%, Dehydrated ethanol,DB00898,Ethanol, absolute, reag. ISO, reag. Ph. Eur., >=99.8% (GC), liquid (clear, colorless),Ethyl alcohol in alcoholic beverages, Ethanol Extra Pure,Vodka,Reagent Alcohol, anhydrous, <=0.003% water,Alcohols, C1-3,Ethanol, Anhydrous,Specially Denatured Alcohol, 190 proof, SDA 35A, contains Ethyl acetate,SDM No. 37, Alcohol dehydrated,Ethylicum,Ethanol, suitable for 300 per JIS, >=99.5%, for residue analysis,AI3-01706, Alcohol, Grain,VANILLA Powder,NSC 85228,Alcohol Determination-Alcohol, United States Pharmacopeia (USP) Reference Standard,alcohol, ALCOHOL 5% IN D5-W,Ethanol-400 (10 ampules/kit), 400 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material, HYDROXYETHYL GROUP,SD 3A,Ethanol, absolute, semiconductor grade PURANAL(TM) (Honeywell 17826),Ethanol, >=99.5%,booze,Ethanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.9%,ALCOHOL [USP-RS],Ethanol, purum, secunda spirit, denaturated with 2% 2-butanone and 0.5% 4-methyl-2-pentanone, S15, ~96% (based on denaturant-free substance),Ethanol,Ethyl Alcohol Absolute, ACS/USP Grade,90604-31-2,EPA Pesticide Chemical Code 001501,Ethanol-150, 150 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material,Ethanol, >=99.5%, for HPLC,C00469, SDM No. 37,Ethanol, >=99.5%, suitable for absorption spectrum analysis, Alcohol,Ethanol, absolute, >=99.8% (GC), sales not in Germany,CHEMBL545,Ethanol, JIS special grade, >=99.5%,Aethanol [German],FT-0625732,Ethanol-100 (5 ampules/kit), 100 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material,Etanolo,Denatured alcohol CD-5a, Ethanol Anhydrous,Methylcarbinol,Aethanol,CAS-64-17-5,ALCOHOL,DEHYDRATED [VANDF],Ethanol, purum, absolute ethanol, denaturated with 2% 2-butanone, A15 MEK1, >=99.8% (based on denaturant-free substance), Alcohols, C1-3,Dehydrated ethanol (TN),Absolute ethanol, Synasol,Ethyl alcohol anhydrous, Etanolo [Italian], Infinity Pure,SDM No. 37 (Salt/Mix),ETHANOL [WHO-IP],Ethanol, purum, fine spirit, denaturated with 4.8% methanol, F25 METHYL1, ~96% (based on denaturant-free substance), Anhydrol,FT-0625729,Specially Denatured Alcohol, 190 proof, SDA 39C, contains Diethyl phthalate,Spirits of wine,Ethyl Alcohol Absolute (Organic) USP Grade,SDA 3A,NSC-85228,100C.NPA,Ethyl alcohol & water, 70%,Alkoholu etylowego,Denatured alcohol CD-10,ALCOHOL, DEHYDRATED [VANDF], Colognespirits,Denatured alcohol SD-23a,Ethyl alcohol, Pure, 190 proof, meets USP testing specifications,Alcohol,sda, Ethyl alcohol, LTBB002977,Ethanol Anhydrous,Reagent Alcohol, 70%, used for histology tissue preparation,Dehydrated alcohol,bmse000297,Ethyl Alcohol 70%,Specially Denatured Alcohol, 200 proof, SDA 2B-3, contains Toluene,Ethanol, USP, 99.5%, Methylcarbinol,Reagent Alcohol, spectrophotometric grade,Ethyl Alcohol 95% (Grain Derived) FCC Grade,Ethanol-50, 50 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material,B3324 [LANGUAL],Alcohol dehydrated, >=85.0%,Ethanol, tested according to Ph.Eur.,Ethanol, absolute, for HPLC, sales not in Germany1, >=99.8% (GC), Ethanol solution,FT-0668048,Ethanol-water solution, NIST(R) SRM(R) 2896, nominal mass fraction 0.3%,ETHYLICUM [HPUS],Ethanol 2000 microg/mL in Methanol,Spirit,Ethyl alcohol usp, Denatured alcohol, Ethyl hydroxide,ALCOHOL [HSDB],Ethanol, puriss. p.a., ACS reagent, absolute alcohol, without additive, A15 o1, >=99.8%,Ethanol in alcoholic beverages,Hinetoless,SD Alchol 23-hydrogen,Ethanol, anhydrous, denatured,Ru-Tuss Liquid (Salt/Mix),Ethyl alcohol, Pure, 200 proof, for molecular biology, Etanol,Ethanol-25, 25 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material,Alcool etilico [Italian],Reagent Alcohol, 80%,Denatured alcohol SD-3a,EC 200-578-6, IMS 99,Ethanol-10, 10 mg/dL in H2O, pack of 10 x 1.2 mL ampules, certified reference material,1-Hydroxyethane, Cologne Spirit,Ethanol-40, 40 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material,absolute alcohol, Ethanol Absolute Bp,Cologne spirits,DTXSID4028331,HSDB 82,ALCOHOLUM [WHO-IP LATIN],Ethanol solution, certified reference material, 2000 mug/mL in methanol,Ethylalcohol [Dutch],Ethanol-water solution, NIST(R) SRM(R) 2895, nominal mass fraction 0.2%,Specially Denatured Alcohol, 200 proof, SDA 40 (40-2), contains 0.14 % (v/v) tert-Butyl alcohol and Brucine sulfate, Algrain,Ethyl alcohol & water, 95%,Synasol,Sekundasprit, SY Fresh M,Lux,64-17-5,Ethanol, Alcohol Reagent, anhydrous, denatured, Esumiru WK 88,Ethanol-300, 300 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material,Ethanol-20 (10 ampules/kit), 20 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material,alcohol etilico,Ethanol, silent spirit,NCGC00091458-02,Alcohol 95%,Anhydrol PM 4085,Denatured alcohol SD-28,Ethanol, p.a., ACS reagent, 96%,Ethanol, >=99.5%, SAJ super special grade,Ethyl alcohol & water, 50%, Alcohol (USP),Cologne Spirit,ETHANOL, ANHYDROUS [EP MONOGRAPH],Ethyl alcohol & water, 10%,Ethanol, CDA 19, Reagent Alcohol,Ethanol Vapor,Specially Denatured Alcohol, 190 proof, SDA 3A, contains Methanol, Anhydrol PM 4085,7528N5H79B,Alcohol, ethyl,Ethyl alcohol & water, 60%,Etanolo [Italian],DSSTox_RID_75674,Spirt,Denatured alcohol SD-13a,EtOH,Ethanol 100 microg/mL in Methanol,Alcohol,ethyl,DEHYDRATED ALCOHOL [USP-RS],Ethanol, purum, absolute ethanol, denaturated with 1% cyclohexane, A15 CYCLO1, >=99.8% (based on denaturant-free substance), QMHAIh,ABLYSINOL,Ethanol, undenatured,ethanol-,Alcohol anhydrous, Alcohol, diluted,Ethanol Absolute, Hydroxyethane,Ethyl Alcohol 95% (Synthetic) FCC Grade, Ethyloxy Group, Ethylol, Etanolo,Ethanol Calibration Kit, ampule of 10 x 1.2 mL, certified reference material,Specially Denatured Alcohol, 200 proof, SDA 2B-5, contains n-Hexane, Ethyl alcohol usp, Ru-Tuss Expectorant,Ru-Tuss Hydrocodone Liquid,ETHANOL [WHO-DD],Ethanol-water solution, NIST(R) SRM(R) 2892, nominal mass fraction 0.04%,Dehydrated ethanol,SDA 40-2,Specially Denatured Alcohol, 190 proof, SDA 30, contains Methanol,Anhydrous alcohol,Aethylalkohol,Anhydrol,Denatured alcohol SD-17,Denatured alcohol, Alcohol [USP],Ethanol, puriss. p.a., absolute, >=99.8% (GC),Fatty Alcohol C8-10,Ethyl alcohol, Pure, 200 proof, ACS reagent, meets USP testing specifications, Excise Tax-free, Permit for use required,grain alcohol,1E37B0D2-6209-4B03-A57D-500F3223C2DA,Q153,Dehydrated Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material, Hinetoless,Alcohol, Absolute,Ethyl Alcohol Absolute (Synthetic) ACS/USP Grade, E7148_ALDRICH,Alcohols, Grain alcohol,DSSTox_GSID_20584,Reagent Alcohol,Potato alcohol,Ethanol Fixative 80% v/v, suitable for fixing solution (blood films),FEMA No. 2419,AKOS009104571,Ethyl alc,HBN-1 COMPONENT ETHANOL,CHEBI:17246,Ethanol, standard for GC,NCGC00091458-01,NCGC00260059-01,Ethanol-20 (5 ampules/kit), 20 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material,Alcohol,denatured,Ethanol, ACS reagent, 99.8, 200 proof,Ethanol, absolute, >=99.8% (GC),Alcool ethylique, Alcohol, Absolute,42845-45-4, Ethanol, undenatured, Ethanol 200 proof,Ethanol-200 (10 ampules/kit), 200 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material, 100C.NPA,Reagent Alcohol, 95%, Used for histology tissue preparation,Specially Denatured Alcohol, 200 proof, SDA 40B, contains tert-Butyl alcohol and denatonium benzoate,Ethicap,SD alcohol 23-hydrogen,Ethanol 10000 microg/mL in Methanol,Ethyl alcohol, Pure, 190 proof, ACS spectrophotometric grade, 95.0%,Ethanol-water solution, NIST(R) SRM(R) 2894, nominal mass fraction 0.1%,Specially Denatured Alcohol, 190 proof, SDA 2B-3, contains Toluene,Ethanol 1000 microg/mL in Methanol, Spirt,Ethyl Alcohol 90%

Similarities

Being able to identify molecules that are similar to the one we study can allow to infer some of its properties. There are several ways of measuring the similarity between molecules, by their structure, effects, pharmacological interactions etc. In the following, you can find similar molecules according to various criterions and tools that we developed. To understand the limitations of these comparisons, it is crucial to always refer to the methodology that was used to measure those similarities. Please note: This information is provided solely for informational purposes and should not be interpreted as medical advice.

To measure structural similarity, we use the Mol2vec method, which is a neural network that processes molecules and transform them into points in spaces, such that molecules with chemically related substructures are transformed into points that are close in space.

Molecule properties

Using the KGPT Deep Learning model, we predict several property of the molecule. Predictions are grouped by the dataset that was used to get those prediction. Along with each prediction, we provide a plot that shows the distribution of predicted values on the train/test/val dataset. This gives an estimate of the reliability of the model.

Description: A dataset focused on predicting the inhibitory effects of molecules on the enzyme beta-secretase 1 (BACE1). BACE1 inhibition is a potential target for Alzheimer's disease treatment.
Class
TrainValTest
2.88-3.70-1.36
Description: A dataset providing insights on the ability of molecules to penetrate the blood-brain barrier. Crucial for understanding the potential of molecules as central nervous system drugs.
p_np
TrainValTest
-2.24-3.290.40
Description: This dataset deals with the FDA approval status and clinical trial toxicity of molecules. Important for understanding the safety and regulatory status of compounds.
CT_TOX
TrainValTest
-0.49-0.78-0.91
FDA_APPROVED
TrainValTest
0.53-1.27-0.50
Description: A dataset that predicts the solubility of molecules in water. Solubility is an essential property influencing bioavailability and the potential formulation of a drug.
logSolubilitylog(mol/L)
2.51
TrainValTest
Description: This dataset is centered on predicting the free energy when a molecule is dissolved in water. The energy changes can affect molecular interactions in biological systems.
freesolvkcal/mol
-0.41
TrainValTest
Description: A dataset predicting the lipophilicity of molecules. Lipophilicity is a crucial factor affecting the distribution, metabolism, and excretion of drugs in the body.
lipoAlogP
-2.35
TrainValTest
Description: This dataset gives insights into the metabolic stability of molecules. High metabolic stability often results in a longer half-life, influencing drug dosage and frequency.
low
TrainValTest
-0.17-3.50-2.88
high
TrainValTest
0.72-3.55-0.49
27 entries
12 entries
617 entries

Advanced insights

In the following we provide more advanced analysis about the interactions of a molecule with the human metabolism, docking sites etc.

Affinities

Binding affinities with a list of 61 predefined docking sites. Those affinities are used to compute the interactions similarities.

Interaction of this molecule with metabolism

We use a Deep Learning model to predict the interactions of this molecule with metabolism. Refer to the source to understand the methodology.

Reactions that metabolize this molecule
Alkyl-OH-glucuronidation BTMR0165
Enzymes: 2.4.1.17
Sulfation of primary alcohol BTMR0501
Enzymes: 2.8.2.2
Oxidation of primary alcohol to aldehyde BTMR0105
Enzymes: CYP1A2 CYP2E1 CYP3A4
Hydroxylation of terminal methyl BTMR1061
Reactions that metabolism produce from this molecule
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products

Metabolite: InChI=1S/C15H14...

Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products

Metabolite: InChI=1S/C20H31...

O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products

Metabolite: InChI=1S/C21H33...

Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Reduction of aldehyde BTMR0367
Enzymes: 1.1.1.184
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products

Metabolite: InChI=1S/C13H15...

O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products

Metabolite: InChI=1S/C24H22...

Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products

Metabolite: InChI=1S/C19H29...

Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
O-Dealkylation of dialkylether BTMR1129
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products

Metabolite: InChI=1S/C22H35...

Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products

Metabolite: InChI=1S/C18H27...

Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
O-Dealkylation of dialkylether BTMR1129