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

C=C1C(=O)C(N)=CC([N+](=O)[O-])=C1O gsh prediction

C=C1C(=O)C(N)=CC([N+](=O)[O-])=C1O protein prediction

C=C1C(=O)C(N)=CC([N+](=O)[O-])=C1O cyanide prediction

C=C1C(=O)C(N)=CC([N+](=O)[O-])=C1O dna prediction

Generation 3

glutathionation · 0.93

*CC1C(=O)C(N)=CC([N+](=O)[O-])=C1O |$GSH;;;;;;;;;;;;;$|