Oxogestone

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Oxogestone

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SMILES:CC(O)C1CCC2C3CCC4=CC(=O)CCC4C3CCC12C

InChI:InChI=1S/C20H30O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11-12,15-19,21H,3-10H2,1-2H3

InChI key:CNOGNHFPIBORED-UHFFFAOYSA-N

Categories (non-exhaustive):

Advanced insights

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

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
Reduction of carbonyl BTMR0368
Enzymes: 1.1.1.184
Reagents

Metabolite: InChI=1S/C20H32...

21-Hydroxylation of sterol BTMR0396
Enzymes: 1.14.14.16
Reagents

Metabolite: InChI=1S/C20H30...

11-beta-Hydroxylation of sterol BTMR0406
Enzymes: 1.14.15.4
Reagents

Metabolite: InChI=1S/C20H30...

16-Hydroxylation of sterol BTMR0407
Reagents

Metabolite: InChI=1S/C20H30...

2-Hydroxylation of sterol BTMR0398
Reagents

Metabolite: InChI=1S/C20H30...

4-Hydroxylation of sterol BTMR0400
Enzymes: CYP1A2 CYP3A4
Reagents

Metabolite: InChI=1S/C20H30...

Oxidation of secondary alcohol to ketone BTMR0079
Reagents

Metabolite: InChI=1S/C20H28...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C20H28...

6-Hydroxylation of sterol BTMR0402
Reagents

Metabolite: InChI=1S/C20H30...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C20H30...

Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group BTMR1209
Enzymes: 1.6.99.1
Reagents

Metabolite: InChI=1S/C20H32...

Reactions that metabolism produce from this molecule
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
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Oxogestone phenpropionate