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)(C2=CNCN=C2)C2CC2)cc1 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=CC2OC2(C(O)(C2=CNCN=C2)C2CC2)C=C1 stable oxygenation prediction

COC1=CC2OC2(C(O)(C2=CNCN=C2)C2CC2)C=C1 unstable oxygenation prediction

COC1=CC2OC2(C(O)(C2=CNCN=C2)C2CC2)C=C1 dehydrogenation prediction

COC1=CC2OC2(C(O)(C2=CNCN=C2)C2CC2)C=C1 reduction prediction

COC1=CC2OC2(C(O)(C2=CNCN=C2)C2CC2)C=C1 hydrolysis prediction

Generation 3

Select a metabolite to form the next generation.

Showing 5 of 82 metabolites