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

Oc1ccc(C(O)(c2cncnc2)C2CC2)cc1 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CN=CC(=CO)C(O)(c1ccc(O)cc1)C1CC1 Quinonation prediction

Generation 3

Select a metabolite to form the next generation.