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)C(C)N=C(N1)N23 N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCCCCCC1CC2CCC(=O)C(C=O)C(C)N=C(N1)N2 gsh prediction

CCCCCCCCCC1CC2CCC(=O)C(C=O)C(C)N=C(N1)N2 protein prediction

CCCCCCCCCC1CC2CCC(=O)C(C=O)C(C)N=C(N1)N2 cyanide prediction

CCCCCCCCCC1CC2CCC(=O)C(C=O)C(C)N=C(N1)N2 dna prediction

Generation 3

glutathionation · 0.80

*C(O)C1C(=O)CCC2CC(CCCCCCCCC)NC(=NC1C)N2 |$GSH;;;;;;;;;;;;;;;;;;;;;;;;;$|