Pregnenolone succinate

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Pregnenolone succinate

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SMILES:CC(=O)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)O)CCC4(C)C3CCC12C

InChI:InChI=1S/C25H36O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h4,17-21H,5-14H2,1-3H3,(H,27,28)

InChI key:OZZAYJQNMKMUSD-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
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Reagents
isomerdesign

3β-Hydroxypregn-5-en-20-one

drugmap

Pregnenolone

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Pregnenolone

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Pregnenolone (medication)

Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Reagents
pubchem

Succinic Acid

drugmap

Succinic acid

16-Hydroxylation of sterol BTMR0407
Reagents

Metabolite: InChI=1S/C25H36...

21-Hydroxylation of sterol BTMR0396
Reagents

Metabolite: InChI=1S/C25H36...

2-Hydroxylation of sterol BTMR0398
Reagents

Metabolite: InChI=1S/C25H36...

4-Hydroxylation of sterol BTMR0400
Enzymes: CYP1A2 CYP3A4
Reagents

Metabolite: InChI=1S/C25H36...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C25H36...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C25H36...

Reduction of ketone to alcohol BTMR1171
Enzymes: CYP2C9
Reagents

Metabolite: InChI=1S/C25H38...

O-Glucuronidation of aliphatic acid BTMR0167
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C31H44...

Glycine conjugation BTMR1325
Enzymes: 2.3.1.13
Reagents

Metabolite: InChI=1S/C27H39...