Batzelladine a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Batzelladine a stable oxygenation prediction

Batzelladine a unstable oxygenation prediction

Batzelladine a dehydrogenation prediction

Batzelladine a reduction prediction

Batzelladine a hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCCCCCC1CC2CCC3C(C(=O)O)C(C)N=C(N1)N23 stable oxygenation prediction

CCCCCCCCCC1CC2CCC3C(C(=O)O)C(C)N=C(N1)N23 unstable oxygenation prediction

CCCCCCCCCC1CC2CCC3C(C(=O)O)C(C)N=C(N1)N23 dehydrogenation prediction

CCCCCCCCCC1CC2CCC3C(C(=O)O)C(C)N=C(N1)N23 reduction prediction

CCCCCCCCCC1CC2CCC3C(C(=O)O)C(C)N=C(N1)N23 hydrolysis prediction

Generation 2

hydroxylation · 0.13

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(=O)CCCCCCCC1CC2CCC3C(C(=O)O)C(C)N=C(N1)N23