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
Aromatic OH-glucuronidation BTMR0166
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C25H38...

Sulfonation of phenolic compound BTMR1376
Enzymes: 2.8.2.1
Reagents

Metabolite: InChI=1S/C19H30...

Methylation of phenolic compound BTMR1377
Enzymes: 2.1.1.25
Reagents

Metabolite: InChI=1S/C20H32...

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

Metabolite: InChI=1S/C19H30...

2-Hydroxylation of 1,4-disubstituted benzene BTMR0037
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C19H30...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C19H30...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C19H30...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C19H28...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C19H28...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C14H20...

N-Dealkylation of acyclic secondary amine BTMR1140
Reagents
N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C14H17...

Hydroxylation of penultimate aliphatic tertiary carbon BTMR1075
Reagents

Metabolite: InChI=1S/C19H30...

4'-Dehydroxylation of substituted benzene BTMR1012
Enzymes: Unspecified bacterial dehydroxylase
Reagents

Metabolite: InChI=1S/C19H30...