THC

marinol

Verificar en tripsit

THC

Verificar en isomerdesign

cis-Δ9-THC

Verificar en isomerdesign

inverse-Δ9-THC

Verificar en isomerdesign

Dronabinol

Verificar en pubchem

Cannabis

Verificar en druglab

Marinol

Verificar en drugmap

Tetrahydrocannabinol

Verificar en wiki

Cis-THC

Verificar en wiki

SMILES:CCCCCC1=CC(O)=C2C(=C1)OC(C)(C)C1CCC(C)=CC21

InChI:InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3

InChI key:CYQFCXCEBYINGO-UHFFFAOYSA-N

Sinónimos:

UNII-7J8897W37S, (-)-trans-delta9-Tetrahydrocannabinol,Delta9-Tetrahydrocannabinol 250 microg/mL in Acetonitrile,NSC 134454,BIDD:GT0427, delta(sup 1)-Thc,(-)-trans-delta9-Tetrahydrocannabinol,(-)-.DELTA.9-THC, Trans-delta9-Tetrahydrocannabinol,(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol,L-trans-delta9-Tetrahydrocannabinol, Delta(9)-Tetrahydrocannabinol, delta(1)-Tetrahydrocannabinol,6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, trans-,(-)-trans-Delta1-Tetrahydrocannabinol,(-)-delta(sup 1)-3,4-trans-Tetrahydrocannabinol, Delta(9)-Tetrahydrocannibinol,delta(sup 1)-Thc,delta(sup 1)-Tetrahydrocannabinol, (-)-DELTA9-Tetrahydrocannabinol,BDBM60994,.DELTA.9-trans-Tetrahydrocannabinol,Epitope ID:224552, Abbott 40566,(-)-Delta9-THC (Dronabinol) 1.0 mg/ml in Methanol,(6AR,10AR)-6,6,9-TRIMETHYL-3-PENTYL-6H,6AH,7H,8H,10AH-BENZO[C]ISOCHROMEN-1-OL, Delta9-THC,QCD 84924, Promega,CHEBI:66964,6H-Dibenzo[b, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-,L-delta1-trans-Tetrahydrocannabinol,(-)-.DELTA.9-Tetrahydrocannabinol,(6aR-trans)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol,Tetrahydrocannabinol, Delta1-Tetrahydrocannabinol,INT-0010/06,1-trans-.delta.(sup9)-tetrahydrocannabinol, Delta9-Tetrahydrocannabinol (VAN),Dronabinol (USP/INN),(-)-.delta.(sup9)-trans-Tetrahydrocannabinol, L-trans-delta9-Tetrahydrocannabinol,delta(9)-THC,L-trans-.delta.9-Tetrahydrocannabinol, 1-trans-delta(sup 9)-Tetrahydrocannabinol,DRONABINOL [VANDF], Delta(sup 9)-Thc,delta9-trans-Tetrahydrocannabinol,J882F, (l)-delta(sup 1)-Tetrahydrocannabinol,THC, (L)-delta1-Tetrahydrocannabinol,Tetrahydrocannabinols (-)-trans-.delta.9-form,(-)-delta9-trans-Tetrahydrocannabinol,(10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Hashish,delta(9)-Tetrahydrocannibinol, Dronabinol [USAN:INN], Delta9-Tetrahydrocannabinol,Tox21_112616, Delta(sup 1)-Tetrahydrocannabinol,(l)-delta1-Tetrahydrocannabinol, Namisol, DELTA1-THC,US9416103, Delta9-THC,δ9--tetrahydrocannabinol,6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol(DeltaE-9-THC),(-)-Delta9-Tetrahydrocannabinol (Delta9-THC) 100 microg/mL in Methanol,6,6,9-Trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-dibenzo(b,d)pyran-1-ol,Compassia, delta1-THC,delta1-Tetrahydrocannabinol (VAN),DRONABINOL [MART.],trans-Δ9-THC,7J8897W37S, TETRAHYDROCANNABINOL,CAS-1972-08-3, (-)-delta9-Tetrahydrocannabinol,C06972, Omegaven,(-)-Delta9-Tetrahydrocannabinol (Delta9-THC) 1000 microg/mL in Methanol,DRONABINOL [USAN], MaxEPA, delta(sup 9)-Thc,TETRAHYDROCANNABINOL,GTPL2424,DRONABINOL [HSDB], (-)-delta1-Tetrahydrocannabinol, QCD 84924,Dronabinolum, (-)-DELTA9-trans-Tetrahydrocannabinol,thc,BDBM50007391,delta(1)-Tetrahydrocannabinol,(6aR-trans)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol,3-Pentyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-dibenzo(b,d)pyran-1-ol,delta1-Tetrahydrocannabinol,.delta.-9-tetrahydrocannabinol,trans-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol, (-)-delta(sup 1)-3,4-trans-Tetrahydrocannabinol, Delta(9)-tetrahydrocannabinol,cesamet,(-)-.DELTA.9-trans-Tetrahydrocannabinol,SCI-110 component dronabinol, Dronabinol (USP/INN),delta-Tetrahydrocannabinol (THC), L-delta1-Tetrahydrocannabinol,(L)-.delta.1-Tetrahydrocannabinol, Fish oils, omega-3 fatty acid-high,CHEMBL465, 1972/8/3, delta(9)-Tetrahydrocannibinol,delta(sup 9)-Thc,6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-,DRONABINOL [INN], Sonergx,dronabinol, 1-trans-delta9-Tetrahydrocannabinol,DTXCID101327, Fats and Glyceridic oils, fish, n-3 fatty acid-high,Dronabinol [USAN:USP:INN],TCI, Delta(sup 9)-Tetrahydrocannabinol, (-)-delta(sup9)-trans-Tetrahydrocannabinol, 9-tetrahydrocannabinol,(-)-delta1-Tetrahydrocannabinol,Namisol, Delta-THC,Cannabinol, tetrahydro- (6CI),Abbott 40566,delta 9-Tetrahydrocannabinol, Marinol (TN), SP 104,8,8-Dimethyl-11-methylene-5-pentyl-3,4,8a,9,10,11,12,12a-octahydro-2H,8H-1,7-dioxa-benzo[c]phenanthrene, Delta(9)-THC, Trans-delta-9-Tetrahydrocannabinol,(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol,NSC-134454,(6aR,10aR)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol, THC-delta-9,SP-104,ABBOTT-40566,CCRIS 4726,Q190067, (-)-3,4-trans-Delta1-Tetrahydrocannabinol,L-.delta.1-Tetrahydrocannabinol, Ganja,Dronabinol (Synthetic), Delta(sup9)-THC, 1-trans-delta-9-Tetrahydrocannabinol,6,9-Trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-ol,.DELTA.1-Tetrahydrocannabinol,Deltanyne,14C-.DELTA.1-Tetrahydrocannabinol,PDSP2_000714,delta9-thc,syndros, Cannabis resin, delta(9)-Tetrahydrocannabinol,Dronabinol, delta1-Tetrahydrocannabinol,Cannabinol, Delta1-tetrahydro- (7CI), Trans-DELTA9-Tetrahydrocannabinol, delta-9-THC,(-)-trans-Delta9-THC,(-)-delta(sup 1)-3,4-trans-Tetrahydrocannabinol(l)-delta(sup 1)-Tetrahydrocannabinol,INT-0010,DRONABINOL [USP MONOGRAPH],trans-delta9-Tetrahydrocannabinol,.delta.(sup9)-THC,(-)-(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol,SP 104,D00306,1-trans-delta(sup9)-tetrahydrocannabinol, (-)-trans-Delta1-Tetrahydrocannabinol, THC, Relivar, Cannabinol, Delta1-tetrahydro-(7CI), 9-ene-Tetrahydrocannabinol, Cannabinol, tetrahydro-(6CI),(6AR,10AR)-6,6,9-TRIMETHYL-3-PENTYL-6A,7,8,10A-TETRAHYDRO-6H-DIBENZO(B,D)PYRAN-1-OL,.delta.-9-THC,delta9-Tetrahydrocannabinol (VAN),delta(9)-Tetrahydrocannabinol,1-trans-delta9-Tetrahydrocannabinol, (-)-delta9-(trans)-Tetrahydrocannabinol,Tetrahydrocannabinols (-)-delta1-3,4-trans-form, delta9-Tetrahydrocannabinol, Deltanyne, Delta9-trans-Tetrahydrocannabinol, 1-trans-delta(sup9)-tetrahydrocannabinol,Dronabinolum [Latin],δ9-thc,DB00470,(-)-.DELTA.1-3,4-TRANS-TETRAHYDROCANNABINOL,delta9-tetrahydrocannabinol, (-)-trans-DELTA9-Tetrahydrocannabinol,1-trans-delta-9-Tetrahydrocannabinol, Delta9-Tetrahydrocannabinol solution, (-)-delta9-trans-Tetrahydrocannabinol,Cannabinol, 1-trans-.delta.(sup9)-tetrahydro-,(l)-delta(sup 1)-Tetrahydrocannabinol,DTXSID6021327, SP,TETRAHYDROCANNABINOL, DELTA-9 TRANS,delta-9-Tetrahydrocannabinol,Marinol (TN),cis-Δ9-THC,6465-30-1,delta(sup 9)-Tetrahydrocannabinol, Delta(1)-Tetrahydrocannabinol,QCD-84924,6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)-, Dronabinolum,Δ1-THC,inverse-Δ9-THC, Delta-9-tetrahydrocannabinol, 6H-Dibenzo, L-delta(sup 1)-tetrahydrocannabinol,(+/-)-delta9-Tetrahydrocannabinol, delta-9-tetrahydrocannabinol,.DELTA.1-THC, delta(9)-THC, DELTA1-Tetrahydrocannabinol, Trans-tetrahydrocannabinol, Delta(1)-THC, (-)-DELTA9-THC,DRONABINOL [ORANGE BOOK],Syndros,(-)-Delta9-THC (Dronabinol) 5.0 mg/ml in Methanol, (-)-DELTA1-Tetrahydrocannabinol, Delta1-Tetrahydrocannabinol (VAN),delta-9 Tetrahydrocannabinol, DELTA9-trans-Tetrahydrocannabinol,(-)-trans-.DELTA.9-Tetrahydrocannabinol,DTXSID001038830,delta-9-tetrahydrocannabinol,(-)-Delta9-THC (Dronabinol) 0.1 mg/ml in Methanol,Δ9-THC,DELTA9-THC,Relivar,(-)-.DELTA.1-Tetrahydrocannabinol,(S)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol,DEA No. 7369, Delta(sup 1)-Thc,6H-Dibenzo[b, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, 1-trans-D9-Tetrahydrocannabinol,Cannabinol, delta1-tetrahydro-,6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol(delta9-THC(delta9-tetrahydrocannabinol)),.DELTA.9-Tetrahydrocannabinol,delta9-Tetrahydrocannabinol, CAT-310,9-tetrahydrocannabinol, Drona binol,Cannabinol, .DELTA.1-tetrahydro-, (l)-delta1-Tetrahydrocannabinol, DRG-0138,6H-dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)-,DRG-0138, Marincap, Tetrahydrocannabinols (-)-delta1-3,4-trans-form,L-.delta.1-trans-Tetrahydrocannabinol, Compassia,delta1-THC,NSC134454, L-delta1-trans-Tetrahydrocannabinol, Dronabinolum [Latin],DRONABINOL [WHO-DD],6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, (-)-trans-Delta9-THC,6H-Dibenzo[b, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, trans-, Delta1-THC,CAT-310, delta9-THC, Omega-3-Fatty acid, Pro-Mega,(-)-3,4-trans-Delta1-Tetrahydrocannabinol, Tetrahydrocannabinol delta9,Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol, 14C-DELTA1-Tetrahydrocannabinol,SCHEMBL4609,6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-,3ls4,1-trans-delta(sup 9)-Tetrahydrocannabinol,trans-.DELTA.9-Tetrahydrocannabinol,Tetrahydrocannabinol delta9, Tetranabinex, Fish oils, n-3 fatty acid-high,(-)-delta9-Tetrahydrocannabinol,Cannabinol, 1-trans-delta(sup 9)-tetrahydro-,Delta-9-Tetrahydrocannabinol, United States Pharmacopeia (USP) Reference Standard, 9-delta-Tetrahydrocannabinol,HSDB 6471,.DELTA.9-THC,TETRAHYDROCANNABINOLS (-)-TRANS-.DELTA.9-FORM [MI], Delta-9-THC,(6aR,10aR)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol,Marinol,1972-08-3,delta9-THC,delta-9-THC

Categorías (no exhaustivas):

Substituted piperazine Substituted phenylmorpholine Substituted cathinone Methylphenidate analogue Aminorex analogue Imidazopyridine DOx Benzimidazole opioid Arylcyclohexylamine Xanthine Tryptamine Tropane Tricyclic Thiobarbiturate Cyclopyrrolone Pyrazolopyrimidine Substituted phenethylamine Lysergamide Diphenylbutylpiperidine Racetam Benzodiazepine Barbiturate Alkyl nitrite 25nb 2c Substituted amphetamine Naphthoylindole Phenylacetylindole Benzoylindole Cyclohexylphenol Check naphthoylpyrrole Naphthylmethylindene Tetramethylcyclopropanoylindoles Adamantoylindoles Indole3carboxylate ester Indazole3carboxamide Morphinan

Similitudes

Poder identificar moléculas similares a la que estudiamos puede permitir inferir algunas de sus propiedades. Hay varias formas de medir la similitud entre moléculas, por su estructura, efectos, interacciones farmacológicas, etc. A continuación, puedes encontrar moléculas similares según varios criterios y herramientas que desarrollamos. Para comprender las limitaciones de estas comparaciones, es crucial referirse siempre a la metodología utilizada para medir esas similitudes.Ten en cuenta: Esta información se proporciona únicamente con fines informativos y no debe interpretarse como asesoramiento médico.

Tipo de similitud

Para medir la similitud estructural, utilizamos el método de Mol2vec Mol2Vec, que es una red neuronal que procesa moléculas y las transforma en puntos en el espacio, de modo que las moléculas con subestructuras químicamente relacionadas se transforman en puntos cercanos en el espacio.

Estados legales

Para cada país, buscamos referencias y regulaciones relacionadas con esta molécula o con familias de compuestos a las que pertenece.

Descargo de responsabilidad: La información proporcionada en este sitio web sobre las referencias legales de las moléculas es solo con fines informativos y no constituye asesoramiento legal. Aunque nos esforzamos por mantener la información actualizada y precisa, las leyes y regulaciones pueden cambiar con el tiempo. Por lo tanto, no podemos garantizar la integridad, exactitud o aplicabilidad de la información proporcionada. Es importante consultar siempre los textos legales originales y hablar con un profesional legal calificado antes de tomar decisiones basadas en la información proporcionada en este sitio web.

Siempre verifica las fuentes proporcionadas, puede haber errores de clasificación. Nuestro sistema también puede haber omitido ciertas referencias.: Esta molécula se agregó en la legislación: Esta molécula se eliminó de la legislación

País:

Tipo de legislación

Narcotics

2021-05-23

Molécula mencionada como "Tétrahydrocannabinols"

Psychotropes

El sistema no ha detectado ninguna mención de esta molecula en France como Psychotropes pero siempre debes verificarlo por ti mismo.

Propiedades de la molécula

Utilizando el modelo de KGPT Aprendizaje Profundo, predecimos varias propiedades de la molécula. Las predicciones se agrupan según el conjunto de datos que se utilizó para obtener esas predicciones. Junto con cada predicción, proporcionamos un gráfico que muestra la distribución de los valores predichos en el conjunto de datos de entrenamiento/prueba/validación. Esto da una estimación de la confiabilidad del modelo.

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)

-1.98

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

-0.63

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

1.72

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

Afinidades

Afinidades de unión con una lista de 61 sitios de acoplamiento predefinidos. Estas afinidades se utilizan para calcular las similitudes de interacciones.

Interacción de esta molécula con el metabolismo

Utilizamos un modelo de Aprendizaje Profundo para predecir las interacciones de esta molécula con el metabolismo. Consulta la fuente para entender la metodología.

Reacciones que metabolizan esta molécula

Aromatic OH-glucuronidation BTMR0166

Enzimas: 2.4.1.17

Reagents

Metabolite: InChI=1S/C27H38...

Sulfonation of phenolic compound BTMR1376

Enzimas: 2.8.2.1

Reagents

Δ9-THC sulfate

Methylation of phenolic compound BTMR1377

Enzimas: 2.1.1.25

Reagents

(6aR,10aR)-1-Methoxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran

Hydroxylation of antepenultimate aliphatic secondary carbon BTMR1072

11-Hydroxy-THC

Reacciones que el metabolismo produce a partir de esta molécula

Hydrolysis of carboxylic acid ester BTMR0143

Hydrolysis of carboxylic acid ester BTMR0143

Enzimas: 3.1.1.1

Products

THC-O

Δ9-THC acetate

THC-O-acetate

O-Dealkylation BTMR0052

Enzimas: CYP1A2 CYP2A6 CYP2C9 CYP2C19 CYP2D6 CYP2E1 CYP3A4

Products

(6aR,10aR)-1-Methoxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran

Hydrolysis of carboxylic acid ester BTMR0143

Enzimas: 3.1.1.1

Products

THC

marinol

THC

cis-Δ9-THC

inverse-Δ9-THC

Dronabinol

Cannabis

Marinol

Tetrahydrocannabinol

Cis-THC

Similitudes

Estados legales

Propiedades de la molécula

Perspectivas avanzadas

Afinidades

Interacción de esta molécula con el metabolismo

Metabolite: InChI=1S/C27H38...

Δ9-THC sulfate

(6aR,10aR)-1-Methoxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran

3″-OH-Δ9-THC

3'-Hydroxy-THC

Metabolite: InChI=1S/C21H30...

8-Hydroxy-Δ9-THC

Metabolite: InChI=1S/C21H30...

Metabolite: InChI=1S/C21H30...

Metabolite: InChI=1S/C21H30...

Metabolite: InChI=1S/C21H30...

Metabolite: InChI=1S/C21H28...

Metabolite: InChI=1S/C21H30...

Metabolite: InChI=1S/C21H30...

6β-Hydroxymethyl-Δ9-THC

11-Hydroxy-Δ9-THC

11-Hydroxy-THC

SP-111

THC morpholinylbutyrate

Tetrahydrocannabinolic acid B

ADL 1137

Δ9-THC propionate

Δ9-THC sulfate

THC-O

Δ9-THC acetate

THC-O-acetate

(6aR,10aR)-1-Methoxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran

Δ9-THC succinate

THC hemisuccinate