Showing CypComp Card for CC02421: Naphthalene (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:55:00 UTC
Last Updated2019-10-01 21:42:07 UTC
CypComp IDCC02421
Compound Information
NameNaphthalene
Structure ImageUfwibtonfrdias uhfffaoysa n
InChIKeyUFWIBTONFRDIAS-UHFFFAOYSA-N
PubChem ID931
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <2,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R3>
  • <5,H;Hydroxylation;R4>
  • <7,H;Hydroxylation;R5>
  • <8,H;Hydroxylation;R6>
  • <9,H;Hydroxylation;R7>
  • <10,H;Hydroxylation;R8>
  • <8,10;EpOxidation;;R9>
  • <9,7;EpOxidation;R10>
  • <4,5;EpOxidation;R11>
  • <2,3;EpOxidation;R12>
  • <2,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R3>
  • <5,H;Hydroxylation;R4>
  • <7,H;Hydroxylation;R5>
  • <8,H;Hydroxylation;R6>
  • <9,H;Hydroxylation;R7>
  • <10,H;Hydroxylation;R8>
  • <8,10;EpOxidation;;R9>
  • <9,7;EpOxidation;R10>
  • <4,5;EpOxidation;R11>
  • <2,3;EpOxidation;R12>
  • <2,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R3>
  • <5,H;Hydroxylation;R4>
  • <7,H;Hydroxylation;R5>
  • <8,H;Hydroxylation;R6>
  • <9,H;Hydroxylation;R7>
  • <10,H;Hydroxylation;R8>
  • <8,10;EpOxidation;;R9>
  • <9,7;EpOxidation;R10>
  • <4,5;EpOxidation;R11>
  • <2,3;EpOxidation;R12>
  • <2,H;Hydroxylation;R1>
  • <5,H;Hydroxylation;R2>
  • <7,H;Hydroxylation;R7>
  • <8,H;Hydroxylation;R8>
  • <2,H;Hydroxylation;R1>
  • <5,H;Hydroxylation;R2>
  • <7,H;Hydroxylation;R7>
  • <8,H;Hydroxylation;R8>
  • <2,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R3>
  • <5,H;Hydroxylation;R4>
  • <7,H;Hydroxylation;R5>
  • <8,H;Hydroxylation;R6>
  • <9,H;Hydroxylation;R7>
  • <10,H;Hydroxylation;R8>
  • <8,10;EpOxidation;;R9>
  • <9,7;EpOxidation;R10>
  • <4,5;EpOxidation;R11>
  • <2,3;EpOxidation;R12>
  • <2,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R3>
  • <5,H;Hydroxylation;R4>
  • <7,H;Hydroxylation;R5>
  • <8,H;Hydroxylation;R6>
  • <9,H;Hydroxylation;R7>
  • <10,H;Hydroxylation;R8>
  • <8,10;EpOxidation;;R9>
  • <9,7;EpOxidation;R10>
  • <4,5;EpOxidation;R11>
  • <2,3;EpOxidation;R12>
  • <2,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R3>
  • <5,H;Hydroxylation;R4>
  • <7,H;Hydroxylation;R5>
  • <8,H;Hydroxylation;R6>
  • <9,H;Hydroxylation;R7>
  • <10,H;Hydroxylation;R8>
  • <8,10;EpOxidation;;R9>
  • <9,7;EpOxidation;R10>
  • <4,5;EpOxidation;R11>
  • <2,3;EpOxidation;R12>
  • <2,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R2>
  • <4,H;Hydroxylation;R3>
  • <5,H;Hydroxylation;R4>
  • <7,H;Hydroxylation;R5>
  • <8,H;Hydroxylation;R6>
  • <9,H;Hydroxylation;R7>
  • <10,H;Hydroxylation;R8>
  • <8,10;EpOxidation;;R9>
  • <9,7;EpOxidation;R10>
  • <4,5;EpOxidation;R11>
  • <2,3;EpOxidation;R12>
References
  1. Cho TM, Rose RL, Hodgson E: In vitro metabolism of naphthalene by human liver microsomal cytochrome P450 enzymes. Drug Metab Dispos. 2006 Jan;34(1):176-83. doi: 10.1124/dmd.105.005785. Epub 2005 Oct 21. [PubMed:16243959 ]
Download FileCC02421.sdf