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Record Information
Version1.0
Creation Date2019-07-14 16:36:54 UTC
Last Updated2019-10-01 21:41:28 UTC
CypComp IDCC02112
Compound Information
NameSafrole
Structure ImageZmqaaubtxcxric uhfffaoysa n
InChIKeyZMQAAUBTXCXRIC-UHFFFAOYSA-N
PubChem ID5144
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <12,11;Cleavage;R1>
  • <12,10;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • <1,H;Hydroxylation;R2>
  • <12,11;Cleavage;R1>
  • <12,10;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • <1,H;Hydroxylation;R2>
  • Not Available
  • Not Available
  • <1,H;Hydroxylation;R1>
  • <12,11;Cleavage;R1>
  • <12,10;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • <12,11;Cleavage;R1>
  • <12,10;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • <1,H;Hydroxylation;R2>
  • <12,11;Cleavage;R1>
  • <12,10;Cleavage;R1>
  • <12,H;Oxidation;R1>
  • <1,H;Hydroxylation;R2>
  • <1,H;Hydroxylation;R1>
References
  1. Ueng YF, Hsieh CH, Don MJ, Chi CW, Ho LK: Identification of the main human cytochrome P450 enzymes involved in safrole 1'-hydroxylation. Chem Res Toxicol. 2004 Aug;17(8):1151-6. doi: 10.1021/tx030055p. [PubMed:15310247 ]
  2. Wang B, Zhou SF: Synthetic and natural compounds that interact with human cytochrome P450 1A2 and implications in drug development. Curr Med Chem. 2009;16(31):4066-218. [PubMed:19754423 ]
Download FileCC02112.sdf