Alpha-ochratoxin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alpha-ochratoxin Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1C=C2C(=O)C=C(C(=O)O)C(O)=C2C(=O)O1 stable oxygenation prediction

CC1C=C2C(=O)C=C(C(=O)O)C(O)=C2C(=O)O1 unstable oxygenation prediction

CC1C=C2C(=O)C=C(C(=O)O)C(O)=C2C(=O)O1 dehydrogenation prediction

CC1C=C2C(=O)C=C(C(=O)O)C(O)=C2C(=O)O1 reduction prediction

CC1C=C2C(=O)C=C(C(=O)O)C(O)=C2C(=O)O1 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1C=C2C(=C(O)C(C(=O)O)=CC2O)C(=O)O1 gsh prediction

CC1C=C2C(=C(O)C(C(=O)O)=CC2O)C(=O)O1 protein prediction

CC1C=C2C(=C(O)C(C(=O)O)=CC2O)C(=O)O1 cyanide prediction

CC1C=C2C(=C(O)C(C(=O)O)=CC2O)C(=O)O1 dna prediction

Generation 3

glutathionation · 0.37

*C1C(=C(O)O)C(O)=C2C(=O)OC(C)C=C2C1O |$GSH;;;;;;;;;;;;;;;;;$|