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 BTMR0144
Enzymes: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzymes: 3.1.1.1
16-Hydroxylation of sterol BTMR0408
Reagents

Metabolite: InChI=1S/C25H28...

2-Hydroxylation of sterol BTMR0399
Reagents

Metabolite: InChI=1S/C25H28...

4-Hydroxylation of sterol BTMR0401
Enzymes: CYP1A2 CYP3A4
Reagents

Metabolite: InChI=1S/C25H28...

O-Hydroxylation of monosubstituted benzene BTMR1034
Reagents

Metabolite: InChI=1S/C25H28...

Oxidation of secondary alcohol to ketone BTMR0079
Reagents

Metabolite: InChI=1S/C25H26...

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

Metabolite: InChI=1S/C25H28...

m-Hydroxylation of monosubstituted benzene BTMR1033
Reagents

Metabolite: InChI=1S/C25H28...

6-Hydroxylation of sterol BTMR0403
Reagents

Metabolite: InChI=1S/C25H28...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C25H28...

17-OH-Glucuronidation of sterol BTMR0163
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C31H36...