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

epoxidation · 0.02

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC12C=CC(C(O)(c3cnc(O)nc3)C3CC3)=CC1O2