Oxogestone phenpropionate

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Oxogestone phenpropionate

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SMILES:CC(OC(=O)CCC1=CC=CC=C1)C1CCC2C3CCC4=CC(=O)CCC4C3CCC12C

InChI:InChI=1S/C29H38O3/c1-19(32-28(31)15-8-20-6-4-3-5-7-20)26-13-14-27-25-11-9-21-18-22(30)10-12-23(21)24(25)16-17-29(26,27)2/h3-7,18-19,23-27H,8-17H2,1-2H3

InChI key:LHPBUFXEIOLURH-UHFFFAOYSA-N

Categorías (no exhaustivas):

Perspectivas avanzadas

En lo siguiente, proporcionamos un análisis más avanzado sobre las interacciones de una molécula con el metabolismo humano, sitios de acoplamiento, etc.

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
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Reagents
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Oxogestone

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Reagents

InChI=1S/C9H10O2/c10...

16-Hydroxylation of sterol BTMR0407
Reagents

Metabolite: InChI=1S/C29H38...

21-Hydroxylation of sterol BTMR0396
Reagents

Metabolite: InChI=1S/C29H38...

2-Hydroxylation of sterol BTMR0398
Reagents

Metabolite: InChI=1S/C29H38...

4-Hydroxylation of sterol BTMR0400
Enzimas: CYP1A2 CYP3A4
Reagents

Metabolite: InChI=1S/C29H38...

O-Hydroxylation of monosubstituted benzene BTMR1034
Reagents

Metabolite: InChI=1S/C29H38...

Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring BTMR1077
Reagents

Metabolite: InChI=1S/C29H38...

Hydroxylation of benzene on carbon para to electron donating group BTMR1047
Reagents

Metabolite: InChI=1S/C29H38...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C29H36...

6-Hydroxylation of sterol BTMR0402
Reagents

Metabolite: InChI=1S/C29H38...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C29H38...

Reduction of ketone to alcohol BTMR1171
Enzimas: CYP2C9
Reagents

Metabolite: InChI=1S/C29H40...