Antinonnin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Antinonnin stable oxygenation prediction

Antinonnin unstable oxygenation prediction

Antinonnin dehydrogenation prediction

Antinonnin reduction prediction

Antinonnin hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Cc1cc(N[O-])cc([N+](=O)[O-])c1O Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1=C(O)C([N+](=O)[O-])=CC2(N[O-])OC12 UGT Conjugation prediction

Generation 3

Select a metabolite to form the next generation.

glucuronidation
0.99