Showing CypComp Card for CC01826: 7-Ethoxycoumarin (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:35:06 UTC
Last Updated2019-10-01 21:40:51 UTC
CypComp IDCC01826
Compound Information
Name7-Ethoxycoumarin
Structure ImageLifaqmgorkpvdh uhfffaoysa n
InChIKeyLIFAQMGORKPVDH-UHFFFAOYSA-N
PubChem ID35703
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <5,4;Cleavage;R1>
  • <5,H;Oxidaiton;R1>
  • <11,H;Hydroxylation;R2>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidaiton;R1>
  • <11,H;Hydroxylation;R2>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidaiton;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidaiton;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidaiton;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidaiton;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidaiton;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidaiton;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidaiton;R1>
References
  1. Kim KH, Isin EM, Yun CH, Kim DH, Guengerich FP: Kinetic deuterium isotope effects for 7-alkoxycoumarin O-dealkylation reactions catalyzed by human cytochromes P450 and in liver microsomes. Rate-limiting C-H bond breaking in cytochrome P450 1A2 substrate oxidation. FEBS J. 2006 May;273(10):2223-31. doi: 10.1111/j.1742-4658.2006.05235.x. [PubMed:16649998 ]
  2. Shimada T, Tsumura F, Yamazaki H: Prediction of human liver microsomal oxidations of 7-ethoxycoumarin and chlorzoxazone with kinetic parameters of recombinant cytochrome P-450 enzymes. Drug Metab Dispos. 1999 Nov;27(11):1274-80. [PubMed:10534312 ]
  3. Yun CH, Kim KH, Calcutt MW, Guengerich FP: Kinetic analysis of oxidation of coumarins by human cytochrome P450 2A6. J Biol Chem. 2005 Apr 1;280(13):12279-91. doi: 10.1074/jbc.M411019200. Epub 2005 Jan 22. [PubMed:15665333 ]
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