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)OCCCCCCCCCC4NC(=N)N5CCCC5=C4C=O)C(C)N=C(N1)N23 N-Dealkylation prediction

Generation 2

dealkylation · 0.72

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC4NC(=N)NC(CCC(=O)O)=C4C=O)C(C)N=C(N1)N23