Ciprefadol

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Ciprefadol

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SMILES:OC1=CC=CC(C23CCCCC2CN(CC2CC2)CC3)=C1

InChI:InChI=1S/C19H27NO/c21-18-6-3-5-16(12-18)19-9-2-1-4-17(19)14-20(11-10-19)13-15-7-8-15/h3,5-6,12,15,17,21H,1-2,4,7-11,13-14H2

InChI key:KFIQKMINEHFZSM-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
Aromatic OH-glucuronidation BTMR0166
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C25H35...

Sulfonation of phenolic compound BTMR1376
Enzimas: 2.8.2.1
Reagents

Metabolite: InChI=1S/C19H27...

Methylation of phenolic compound BTMR1377
Enzimas: 2.1.1.25
Reagents

Metabolite: InChI=1S/C20H29...

p-Hydroxylation of phenol BTMR1038
Reagents

Metabolite: InChI=1S/C19H27...

Hydroxylation of alicyclic secondary carbon BTMR1068
Reagents

Metabolite: InChI=1S/C19H27...

Hydroxylation of alicyclic secondary carbon BTMR1068
Reagents

Metabolite: InChI=1S/C19H27...

Hydroxylation of alicyclic secondary carbon BTMR1068
Reagents

Metabolite: InChI=1S/C19H27...

Hydroxylation of alicyclic secondary carbon BTMR1068
Reagents

Metabolite: InChI=1S/C19H27...

N-Oxidation of alicyclic tertiary amine BTMR1099
Reagents

Metabolite: InChI=1S/C19H27...

N-Dealkylation of alicyclic tertiary amine BTMR1144
Reagents

Metabolite: InChI=1S/C15H21...

N-Dealkylation of alicyclic tertiary amine BTMR1144
Reagents

InChI=1S/C4H6O/c5-3-...

Hydroxylation of benzene on carbon ortho to electron donating group BTMR1045
Reagents

Metabolite: InChI=1S/C19H27...

Hydroxylation of benzene on carbon ortho to electron donating group BTMR1045
Reagents

Metabolite: InChI=1S/C19H27...

Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C19H27...

Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C19H27...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C19H27...

Hydroxylation of alicyclic tertiary carbon BTMR1243
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C19H27...

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

Metabolite: InChI=1S/C19H27...

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

Metabolite: InChI=1S/C19H27...

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

Metabolite: InChI=1S/C19H27...

Hydroxylation of alicyclic secondary carbon BTMR1065
Enzimas: CYP2B6
Reagents

Metabolite: InChI=1S/C19H27...

Hydroxylation of alicyclic secondary carbon BTMR1065
Enzimas: CYP2B6
Reagents

Metabolite: InChI=1S/C19H27...

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

Metabolite: InChI=1S/C19H27...