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)OCCCCCCCCCC4NC(=N)NC(CCC=O)=C4C(=O)OCCCCNC(=N)N)C(C)N=C(N1)N23 gsh prediction

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

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

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

Generation 2

cyanide · 0.07

*C(O)CCC1=C(C(=O)OCCCCNC(=N)N)C(CCCCCCCCCOC(=O)C2C(C)N=C3NC(CCCCCCCCC)CC4CCC2N34)NC(=N)N1 |$CN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|