Difemerine

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Difemerine

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SMILES:CN(C)CC(C)(C)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1

InChI:InChI=1S/C20H25NO3/c1-19(2,15-21(3)4)24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,23H,15H2,1-4H3

InChI key:WJIZVQNUJVMJAZ-UHFFFAOYSA-N

Categorías (no exhaustivas):

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
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Reagents

Metabolite: InChI=1S/C6H15N...

Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1
Reagents
pubchem

Benzilic acid

O-Hydroxylation of monosubstituted benzene BTMR1034
Reagents

Metabolite: InChI=1S/C20H25...

N-Oxidation of aliphatic tertiary amine BTMR1100
Enzimas: CYP1A2 CYP2D6 CYP3A4
Reagents

Metabolite: InChI=1S/C20H25...

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

Metabolite: InChI=1S/C20H25...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C20H25...

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents

Metabolite: InChI=1S/C18H18...

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents
pubchem

Dimethylamine

N-Dealkylation of acyclic tertiary amine BTMR1142
Reagents

Metabolite: InChI=1S/C19H23...

Aliphatic hydroxylation of carbon alpha to secondary or tertiary alkyl-N BTMR1081
Reagents

Metabolite: InChI=1S/C20H25...

Alkyl-OH-glucuronidation BTMR0165
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C26H33...

N-Glucuronidation of tertiary aliphatic amine BTMR0244
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C26H33...