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

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

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

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

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

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

Generation 4

glutathionation · 0.03

*C1(C)C(=O)C(=N)C=C([N+](=O)[O-])C1(O)O |$GSH;;;;;;;;;;;;;;$|