Perspectivas avanzadas

En lo siguiente, proporcionamos un análisis más avanzado sobre las interacciones de una molécula con el metabolismo humano, sitios de acoplamiento, etc.

Interacción de esta molécula con el metabolismo

Utilizamos un modelo de Aprendizaje Profundo para predecir las interacciones de esta molécula con el metabolismo. Consulta la fuente para entender la metodología.

Reacciones que metabolizan esta molécula
Catechol O-methylation BTMR0212
Enzimas: 2.1.1.6
Reagents

Metabolite: InChI=1S/C23H34...

Catechol O-methylation BTMR0213
Enzimas: 2.1.1.6
Reagents

Metabolite: InChI=1S/C23H34...

Aromatic OH-glucuronidation BTMR0166
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C28H40...

Aromatic OH-glucuronidation BTMR0166
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C28H40...

Sulfonation of phenolic compound BTMR1376
Enzimas: 2.8.2.1
Reagents

Metabolite: InChI=1S/C22H32...

Sulfonation of phenolic compound BTMR1376
Enzimas: 2.8.2.1
Reagents

Metabolite: InChI=1S/C22H32...

Sulfation of secondary alcohol BTMR0502
Enzimas: 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
Enzimas: Unspecified bacterial dehydroxylase
Reagents

Metabolite: InChI=1S/C22H32...

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

Metabolite: InChI=1S/C22H32...