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
Hydroxylation of antepenultimate aliphatic secondary carbon BTMR1072
Enzymes: CYP1A2 CYP2E1
Reagents

Metabolite: InChI=1S/C15H25...

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

Metabolite: InChI=1S/C15H25...

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

Metabolite: InChI=1S/C15H25...

Hydroxylation of penultimate aliphatic secondary carbon BTMR1074
Reagents

Metabolite: InChI=1S/C15H25...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C15H25...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C15H25...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C15H23...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C15H23...

N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C14H20...

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

Metabolite: InChI=1S/C14H23...