Batzelladine a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Batzelladine a N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC(NC(=N)O)C(C(=O)OCCCCNC(=N)N)=C4CCCN4)C(C)N=C(N1)N23 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC(NC4(O)NO4)C(C(=O)OCCCCNC(=N)N)=C4CCCN4)C(C)N=C(N1)N23 gsh prediction

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC(NC4(O)NO4)C(C(=O)OCCCCNC(=N)N)=C4CCCN4)C(C)N=C(N1)N23 protein prediction

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC(NC4(O)NO4)C(C(=O)OCCCCNC(=N)N)=C4CCCN4)C(C)N=C(N1)N23 cyanide prediction

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC(NC4(O)NO4)C(C(=O)OCCCCNC(=N)N)=C4CCCN4)C(C)N=C(N1)N23 dna prediction