Norepinephrine

isomerdesign

Norepinephrine

Check on isomerdesign

pubchem

Norepinephrine

Check on pubchem

drugmap

Norepinephrine

Check on drugmap

wiki

Norepinephrine

Check on wiki

wiki

Norepinephrine (medication)

Check on wiki

SMILES:NCC(O)C1=CC(O)=C(O)C=C1

InChI:InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2

InChI key:SFLSHLFXELFNJZ-UHFFFAOYSA-N

Synonyms: Norartrinal, Levarterenolo [DCIT],Noradrenaline, 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol, Norepirenamine, L-2-Amino-1-(3,4-dihydroxyphenyl)ethanol, Levarterenol, L-1-(3,4-Dihydroxyphenyl)-2-aminoethanol, Levarterenolo, Ecteinascidins, Norepinephrinum, norepinephrinum, L-arterenol, (R)-(-)-Norepinephrine, Nor adrenalin (TN), Levonoradrenaline, Levonor, 51-41-2, Nor-Epirenan, Nor adrenalin, (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol,(R)-4-(1-Hydroxy-2-aminoethyl)benzene-1,2-diol, LT03330026,4-(2-Amino-1-hydroxy-ethyl)benzene-1,2-diol, Levonorepinephrine, Noreinefrina [INN-Spanish], (R)-Noradrenaline, D-(-)-Noradrenaline, Noradrenalinum, Levophed, (-)-Norepinephrine, Noreinefrina, Norepinephrinum [INN-Latin], L-alpha-(aminomethyl)-3,4-dihydroxybenzyl alcohol, (-)-Arterenol free base, Noradrenalin, L-Norepinephrine, (-)-(R)-Norepinephrine,norepinephrine, Norepinephrine l-Tartrate (1:1), Sympathin E, 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol,Norepinephrine, (R)-Norepinephrine, Norepinephrine [INN:JAN], Levoarterenol, Noradrenalina [Italian], 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-(9CI), Aktamin, Norepinephrine Noradrenalin, (-)-alpha-(Aminomethyl)protocatechuyl alcohol, Noradrenaline (JP15), Adrenor, Norepinefrina, ALBB-006229, L-Noradrenaline, L-3,4-dihydroxyphenylethanolamine, Norepinephrine (INN), D53D5E3A-2360-4CA9-8031-6C2CD4062FD5
Categories (non-exhaustive):

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)
1.24
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
-3.59
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
-2.96
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.

AF-A5X5Y0
AF-O95264
AF-P08588
AF-P08908
AF-P13945
AF-P18089
AF-P21728
AF-P21918
AF-P25100
AF-P28221
AF-P28566
AF-P46098
AF-Q9Y2T6
P08913_6KUX
P14416_6CM4
P18825_6KUW
P21917_5WIU
P28222_4IAR
P28223_6WGT
P28335_6BQH
P35462_3PBL
P41595_4IB4

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
Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents
isomerdesign

Normetanephrine

wiki

Normetanephrine

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents
isomerdesign

3,4-Dihydroxyphenylglycolic aldehyde

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents
isomerdesign

Epinephrine

pubchem

Epinephrine

drugmap

Epinephrine

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Catechol O-methylation BTMR0212
Enzymes: 2.1.1.6
Reagents

Metabolite: InChI=1S/C9H13N...

Catechol O-methylation BTMR0213
Enzymes: 2.1.1.6
Reagents
isomerdesign

HME

Aromatic OH-glucuronidation BTMR0166
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C14H19...

Aromatic OH-glucuronidation BTMR0166
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C14H19...

Sulfonation of phenolic compound BTMR1376
Enzymes: 2.8.2.1
Reagents

Metabolite: InChI=1S/C8H11N...

Sulfonation of phenolic compound BTMR1376
Enzymes: 2.8.2.1
Reagents

Metabolite: InChI=1S/C8H11N...

Sulfation of secondary alcohol BTMR0502
Enzymes: 2.8.2.2
Reagents

Metabolite: InChI=1S/C8H11N...

Oxidation of secondary alcohol to ketone BTMR0079
Reagents
isomerdesign

2-Amino-1-(3,4-dihydroxyphenyl)ethan-1-one

drugmap

Noradrenalone (arterenone)

Dehydroxylation of catechol BTMR0278
Enzymes: Unspecified bacterial dehydroxylase
Reagents
isomerdesign

Norfenefrine

wiki

Norfenefrine

3'-Dehydroxylation of substituted benzene BTMR1314
Enzymes: Unspecified bacterial dehydroxylase
Reagents
isomerdesign

β-HO-HPEA

drugmap

Octopamine

wiki

Octopamine

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Reactions that metabolism produce from this molecule
N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

N-(3-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)acetamide

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{2-[(4-Aminobutan-2-yl)amino]-1-hydroxyethyl}benzene-1,2-diol

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products
isomerdesign

Dopamine

pubchem

Dopamine

drugmap

Dopamine

wiki

Dopamine

wiki

Dopamine (medication)

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products
pubchem

Ascorbic Acid

pubchem

Erythorbic acid

drugmap

Vitamin C

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
wiki

Hexoprenaline

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

O-Dealkylation BTMR0052
Products
isomerdesign

Normetanephrine

wiki

Normetanephrine

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

5-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}hexyl 4-methylbenzoate

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

Benzyl (6-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}heptyl)carbamate

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{2-[(5-Aminopentan-2-yl)amino]-1-hydroxyethyl}benzene-1,2-diol

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl (4-methylphenyl)carbamate

Methylenedioxy ring opening BTMR1177
Enzymes: CYP1A2 CYP2D6
Products
isomerdesign

BOHH

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl (4-methylbenzoyl)carbamate

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

Benzyl (3-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}butyl)carbamate

N-Deisopropylation BTMR0051
Products
isomerdesign

Isoprenaline

drugmap

Isoproterenol

wiki

Isoprenaline

N-Dealkylation of acyclic secondary amine BTMR1140
Products

Metabolite: InChI=1S/C11H17...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

2-Acetamido-N-(3-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)acetamide

N-Dealkylation of acyclic secondary amine BTMR1140
Products
wiki

Theodrenaline

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{1-Hydroxy-2-[(4-hydroxybutan-2-yl)amino]ethyl}benzene-1,2-diol

O-Dealkylation BTMR0052
Products
isomerdesign

HME

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{1-Hydroxy-2-[(6-hydroxyhexan-2-yl)amino]ethyl}benzene-1,2-diol

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

2-Hydroxylation of 1,4-disubstituted benzene BTMR0037
Enzymes: CYP1A2
Products
isomerdesign

β-HO-HPEA

drugmap

Octopamine

wiki

Octopamine

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{2-[(3-Aminopropyl)amino]-1-hydroxyethyl}benzene-1,2-diol

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products
pubchem

Oxygen

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

O-Hydroxylation of phenol BTMR1037
Products
isomerdesign

Norfenefrine

wiki

Norfenefrine

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl (4-methylbenzene-1-sulfonyl)carbamate

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl cyclohexylcarbamate

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{1-Hydroxy-2-[(3-hydroxypropyl)amino]ethyl}benzene-1,2-diol

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{2-[(7-Aminoheptan-2-yl)amino]-1-hydroxyethyl}benzene-1,2-diol

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{2-[(6-Aminohexan-2-yl)amino]-1-hydroxyethyl}benzene-1,2-diol

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

Benzyl (5-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}hexyl)carbamate

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl butylcarbamate

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

Cyclohexyl (4-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl)carbamate

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

Benzyl (4-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl)carbamate

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Reduction of carbonyl BTMR0368
Enzymes: 1.1.1.184
Products
isomerdesign

2-Amino-1-(3,4-dihydroxyphenyl)ethan-1-one

drugmap

Noradrenalone (arterenone)

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

5-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}hexyl (4-methylphenyl)carbamate

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

N-(3-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-N′-phenylurea

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

β,3,4-HO-N-Et-PEA

N-Dealkylation of acyclic secondary amine BTMR1140
Products
isomerdesign

4-{1-Hydroxy-2-[(5-hydroxypentan-2-yl)amino]ethyl}benzene-1,2-diol

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...