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Record Information
Version1.0
Creation Date2019-07-14 16:35:52 UTC
Last Updated2019-10-01 21:41:06 UTC
CypComp IDCC01940
Compound Information
NameEllipticine
Structure ImageCtspamfjbxksoy uhfffaoysa n
InChIKeyCTSPAMFJBXKSOY-UHFFFAOYSA-N
PubChem ID3213
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <13,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R2>
  • <12,H;Hydroxylation;R3>
  • Not Available
  • Not Available
  • Not Available
  • <10,H;Hydroxylation;R1>
  • <12,H;Hydroxylation;R2>
  • Not Available
  • <13,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R2>
  • <12,H;Hydroxylation;R3>
  • <18,N;N-Oxidation;R4>
  • Not Available
  • <10,H;Hydroxylation;R1>
  • <12,H;Hydroxylation;R2>
  • <14,H;Hydroxylation;R3>
  • <18,N;N-Oxidation;R4>
References
  1. Stiborova M, Sejbal J, Borek-Dohalska L, Aimova D, Poljakova J, Forsterova K, Rupertova M, Wiesner J, Hudecek J, Wiessler M, Frei E: The anticancer drug ellipticine forms covalent DNA adducts, mediated by human cytochromes P450, through metabolism to 13-hydroxyellipticine and ellipticine N2-oxide. Cancer Res. 2004 Nov 15;64(22):8374-80. doi: 10.1158/0008-5472.CAN-04-2202. [PubMed:15548707 ]
Download FileCC01940.sdf