Browsing CypCompounds in CypBoM Training Set

*Bonds of Metabolism (BoMs) are listed for each cytochrome P450 (CYP) enzyme

Displaying compounds 1 - 25 of 679 in total
CypComp ID Name Structure ImageCYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
CC0180113-cis-Retinoic acidShgazhpcjjphsc xfyacqkrsa n
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
CC018021,2,4-TrichlorobenzenePbkoneoxtcpafi uhfffaoysa n
  • <3,H;Hydroxylation;R1>
  • <4,H;Hydroxylation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • <4,H;Hydroxylation;R2>
  • <3,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R2>
CC018031-NitropyreneAlrlpdgcpyivhp uhfffaoysa n
  • <12,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R2>
  • <17,18;Reduction;R3>
  • <17,19;Reduction;R3>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <8,H;Hydroxylation;R1>
  • <13,7;EpOxidation;R2>
  • <14,H;Hydroxylation;R3>
CC018042-AcetylaminofluoreneCzihnrwjtstcex uhfffaoysa n
  • <1,H;Hydroxylation;R1>
  • <6,H;Hydroxylation;R2>
  • <10,H;Hydroxylation;R3>
  • <11,H;Hydroxylation;R4>
  • <15,H;Hydroxylation;R5>
  • <17,H;Hydroxylation;R6>
  • (show allshow less)
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC018052-AcetylbenzothiopheneSgsgcqgcvkwrnm uhfffaoysa n
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • Not Available
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
CC018062-NaphthylamineJbijlhtvpxgsam uhfffaoysa n
  • <1,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC018072-NitropyreneMazcgyfiooivhe uhfffaoysa n
  • <8,H;Hydroxylation;R1>
  • <5,6;EpOxidation;R2>
  • <19,17;Reduction;R3>
  • <19,18;Reduction;R3>
  • <12,13;EpOxidation;R4>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC018083-O-MethylfluoresceinKdxnysznowtple oaqylsrusa n
  • <26,H;Oxidation;R1>
  • <26,4;Cleavage;R1>
  • Not Available
  • <26,H;Oxidation;R1>
  • <26,4;Cleavage;R1>
  • <26,H;Oxidation;R1>
  • <26,4;Cleavage;R1>
  • <26,H;Oxidation;R1>
  • <26,4;Cleavage;R1>
  • <26,H;Oxidation;R1>
  • <26,4;Cleavage;R1>
  • Not Available
  • Not Available
  • Not Available
CC018093-Cyano-7-ethoxycoumarinYafghmiafyqscf uhfffaoysa n
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
CC018103-Cyano-7-methoxycoumarinGgafpibjpycfgr uhfffaoysa n
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
  • Not Available
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
CC018113-Ethoxy-4-trifluoromethylcoumarinOlhoierzazmhgk uhfffaoysa n
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
CC018123-Methoxy-4-trifluoromethylcoumarinHazhuelnigdyqh uhfffaoysa n
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
CC018133-Methylether-estradiolUlaadvbnyhgibp ujwqcdcrsa n
  • <21,H;Oxidation;R1>
  • <21,2;Cleavage;R1>
  • Not Available
  • Not Available
  • Not Available
  • <21,H;Oxidation;R1>
  • <21,2;Cleavage;R1>
  • <21,H;Oxidation;R1>
  • <21,2;Cleavage;R1>
  • Not Available
  • Not Available
  • <21,H;Oxidation;R1>
  • <21,2;Cleavage;R1>
CC018143-MethylindoleZfrkqxvrdfcrjg uhfffaoysa n
  • <10,H;Oxidation;R1>
  • <2,3;Reduction;R2>
  • <2,H;Oxidation;R2>
  • <10,H;Oxidation;R1>
  • <2,3;Reduction;R2>
  • <2,H;Oxidation;R2>
  • <2,3;Reduction;R1>
  • <2,H;Oxidation;R1>
  • <2,3;Reduction;R1>
  • <2,H;Oxidation;R1>
  • <2,3;Reduction;R1>
  • <2,H;Oxidation;R1>
  • Not Available
  • <2,3;Reduction;R1>
  • <2,H;Oxidation;R1>
  • <2,3;Reduction;R1>
  • <2,H;Oxidation;R1>
  • <2,3;Reduction;R1>
  • <2,H;Oxidation;R1>
CC018154-AminobiphenylDmvoxqpqntyekq uhfffaoysa n
  • <13,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC018164-Chloromethyl-7-ethoxycoumarinRwmrbnnwqluefx uhfffaoysa n
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • Not Available
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
CC018174-NitroanisoleBnuhajgckiqfge uhfffaoysa n
  • <7,H;Oxidation;R1>
  • <7,6;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,6;Cleavage;R1>
  • Not Available
  • Not Available
  • <7,H;Oxidation;R1>
  • <7,6;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,6;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,6;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,6;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,6;Cleavage;R1>
CC018184-NitropyreneUiskiuiwpspsav uhfffaoysa n
  • <17,19;UnspReduction;R1>
  • <17,18;UnspReduction;R1>
  • <9,11;Epoxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <17,19;Reduction;R1>
  • <17,18;Reduction;R1>
  • <9,H;Hydroxylation;R2>
  • <11,H;Hydroxylation;R3>
  • <9,11;Epoxidation;R4>
  • <14,H;Hydroxylation;R5>
  • <12,H;Hydroxylation;R6>
  • (show allshow less)
CC018195-MethylchryseneGohbxwhnjhenrx uhfffaoysa n
  • <17,13;EpOxidation;R1>
  • <15,18;EpOxidation;R2>
  • <14,H;Hydroxylation;R3>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <14,H;Hydroxylation;R1>
  • <19,H;Hydroxylation;R2>
  • <17,13;EpOxidation;R3>
  • <15,18;EpOxidation;R4>
  • <17,13;EpOxidation;R1>
  • <15,18;EpOxidation;R2>
  • <19,H;Hydroxylation;R3>
  • <14,H;Hydroxylation;R1>
  • <19,H;Hydroxylation;R2>
  • <17,13;EpOxidation;R3>
  • <15,18;EpOxidation;R4>
CC018206-AminochryseneKivuhcnvdwyunp uhfffaoysa n
  • <10,H;Hydroxylation;R1>
  • <13,17;Epoxidation;R2>
  • <10,H;Hydroxylation;R1>
  • <10,H;Hydroxylation;R1>
  • <13,17;Epoxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • <10,H;Hydroxylation;R1>
  • <13,17;Epoxidation;R2>
  • Not Available
  • <10,H;Hydroxylation;R1>
  • <13,17;Epoxidation;R2>
CC018216-NitrochryseneUawltqjfzuyroa uhfffaoysa n
  • <1,2;EpOxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <21,19;UnspReduction;R1>
  • <20,19;UnspReduction;R1>
  • <1,2;EpOxidation;R1>
  • <21,19;UnspReduction;R2>
  • <20,19;UnspReduction;R2>
CC018226-MethylchryseneAsvdrlyvnfosci uhfffaoysa n
  • <11,H;Hydroxylation;R1>
  • <13,H;Hydroxylation;R2>
  • <16,19;EpOxidation;R3>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <13,H;Hydroxylation;R1>
  • <16,19;EpOxidation;R2>
  • <13,H;Hydroxylation;R1>
  • <16,19;EpOxidation;R2>
  • <11,H;Hydroxylation;R1>
  • <13,H;Hydroxylation;R2>
  • <14,H;Hydroxylation;R3>
  • <19,H;Hydroxylation;R4>
  • <16,19;EpOxidation;R5>
CC018237-Benzyloxy-4-trifluoromethylcoumarinBxgyirivtygqau uhfffaoysa n
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • Not Available
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
  • Not Available
  • Not Available
  • <5,4;Cleavage;R1>
  • <5,H;Oxidation;R1>
CC018247-BenzyloxyquinolineSidlhxxvibtsjz uhfffaoysa n
  • <11,H;Oxidation;R1>
  • <11,10;Cleavage;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <11,H;Oxidation;R1>
  • <11,10;Cleavage;R1>
CC018257-BenzyloxyresorufinXnzrytitwlgtjs uhfffaoysa n
  • <17,H;Oxidation;R1>
  • <17,2;Cleavage;R1>
  • Not Available
  • <17,H;Oxidation;R1>
  • <17,2;Cleavage;R1>
  • <17,H;Oxidation;R1>
  • <17,2;Cleavage;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <17,H;Oxidation;R1>
  • <17,2;Cleavage;R1>
Displaying compounds 1 - 25 of 679 in total