Showing CypComp Card for CC01902: Capsaicin (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:35:37 UTC
Last Updated2019-10-01 21:41:01 UTC
CypComp IDCC01902
Compound Information
NameCapsaicin
Structure ImageYkpuwzuddoidpm sofgywhqsa n
InChIKeyYKPUWZUDDOIDPM-SOFGYWHQSA-N
PubChem ID1548943
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <12,9;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • Not Available
  • <7,4;Dehydrogenation;R1>
  • <20,H;Hydroxylation;R1>
  • <22,20;Dehydrogenation;R2>
  • <21,20;Dehydrogenation;R3>
  • <21,20;Dehydrogenation;R1>
  • <22,20;Dehydrogenation;R2>
  • <21,H;Hydroxylation;R3>
  • <22,H;Hydroxylation;R4>
  • <22,20;Dehydrogenation;R1>
  • <21,20;Dehydrogenation;R2>
  • <12,9;Cleavage;R3>
  • <12,H;Oxidation;R3>
  • Not Available
  • <22,20;Dehydrogenation;R1>
  • <21,20;Dehydrogenation;R2>
  • <21,H;Hydrlxylation;R3>
  • <22,H;Hydroxylation;R4>
  • <20,H;Hydroxylation;R1>
  • <4,7;Dehydrogenation;R2>
References
  1. Reilly CA, Ehlhardt WJ, Jackson DA, Kulanthaivel P, Mutlib AE, Espina RJ, Moody DE, Crouch DJ, Yost GS: Metabolism of capsaicin by cytochrome P450 produces novel dehydrogenated metabolites and decreases cytotoxicity to lung and liver cells. Chem Res Toxicol. 2003 Mar;16(3):336-49. doi: 10.1021/tx025599q. [PubMed:12641434 ]
Download FileCC01902.sdf