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

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1=C(O)C([N+](=O)[O-])=CC(=N)C1=O Epoxidation prediction

Generation 3

epoxidation · 0.18

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC12OC1(O)C([N+](=O)[O-])=CC(=N)C2=O