Reducymol

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Reducymol Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=CC=C(C(O)(c2cncnc2)C2CC2)C(=O)C1=O N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=CC=C(C(O)(C(=C=O)C=NC=N)C2CC2)C(=O)C1=O Epoxidation prediction

Generation 3

Select a metabolite to form the next generation.