Showing CypComp Card for CC01918: Coumarin (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:35:43 UTC
Last Updated2019-10-01 21:41:03 UTC
CypComp IDCC01918
Compound Information
NameCoumarin
Structure ImageZyghjzdhtfuprj uhfffaoysa n
InChIKeyZYGHJZDHTFUPRJ-UHFFFAOYSA-N
PubChem ID323
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <7,8;EpOxidation;R1>
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <7,8;EpOxidation;R1>
  • <7,8;EpOxidation;R1>
  • <8,H;Hydroxylation;R2>
References
  1. Waxman DJ, Lapenson DP, Aoyama T, Gelboin HV, Gonzalez FJ, Korzekwa K: Steroid hormone hydroxylase specificities of eleven cDNA-expressed human cytochrome P450s. Arch Biochem Biophys. 1991 Oct;290(1):160-6. doi: 10.1016/0003-9861(91)90602-f. [PubMed:1898086 ]
  2. Lewis DF, Ito Y, Lake BG: Metabolism of coumarin by human P450s: a molecular modelling study. Toxicol In Vitro. 2006 Mar;20(2):256-64. doi: 10.1016/j.tiv.2005.08.001. Epub 2005 Sep 12. [PubMed:16157466 ]
Download FileCC01918.sdf