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
Catechol O-methylation BTMR0212
Enzymes: 2.1.1.6
Reagents

Metabolite: InChI=1S/C23H34...

Catechol O-methylation BTMR0213
Enzymes: 2.1.1.6
Reagents

Metabolite: InChI=1S/C23H34...

Aromatic OH-glucuronidation BTMR0166
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C28H40...

Aromatic OH-glucuronidation BTMR0166
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C28H40...

Sulfonation of phenolic compound BTMR1376
Enzymes: 2.8.2.1
Reagents

Metabolite: InChI=1S/C22H32...

Sulfonation of phenolic compound BTMR1376
Enzymes: 2.8.2.1
Reagents

Metabolite: InChI=1S/C22H32...

Sulfation of secondary alcohol BTMR0502
Enzymes: 2.8.2.2
Reagents

Metabolite: InChI=1S/C22H32...

Hydroxylation of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C22H32...

Hydroxylation of acyclic aliphatic secondary carbon BTMR1063
Reagents

Metabolite: InChI=1S/C22H32...

Oxidation of secondary alcohol to ketone BTMR0079
Reagents

Metabolite: InChI=1S/C22H30...

N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C14H21...

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

Metabolite: InChI=1S/C14H24...

N-Dealkylation of acyclic secondary amine BTMR1140
Dehydroxylation of catechol BTMR0278
Enzymes: Unspecified bacterial dehydroxylase
Reagents

Metabolite: InChI=1S/C22H32...

3'-Dehydroxylation of substituted benzene BTMR1314
Enzymes: Unspecified bacterial dehydroxylase
Reagents

Metabolite: InChI=1S/C22H32...