Reducymol

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Reducymol stable oxygenation prediction

Reducymol unstable oxygenation prediction

Reducymol dehydrogenation prediction

Reducymol reduction prediction

Reducymol hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1ccc(C(O)(c2cnc(O)nc2)C2CC2)cc1 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1ccc(C(O)(C2CC2)C23C=NC(O)=NC2O3)cc1 gsh prediction

COc1ccc(C(O)(C2CC2)C23C=NC(O)=NC2O3)cc1 protein prediction

COc1ccc(C(O)(C2CC2)C23C=NC(O)=NC2O3)cc1 cyanide prediction

COc1ccc(C(O)(C2CC2)C23C=NC(O)=NC2O3)cc1 dna prediction

Generation 3

glutathionation · 0.03

*C1(C(O)(c2ccc(OC)cc2)C2CC2)C=NC(O)=NC1O |$GSH;;;;;;;;;;;;;;;;;;;;;$|