Asnipyrone b

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Asnipyrone b Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1cc(C=CC(C)=CC2(C)OC2c2ccccc2)oc(=O)c1 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C=CC1=CC(=O)C(=O)C(=O)O1)=CC1(C)OC1c1ccccc1 Quinonation prediction

Generation 3

Select a metabolite to form the next generation.