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 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(C(O)(c2cncnc2)C2CC2)C(=O)C=C1O UGT Conjugation prediction

Generation 3

Select a metabolite to form the next generation.