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)O)=C4C(=O)OCCCCNC(=N)N)C(C)N=C(N1)N23 Epoxidation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC4NC(=N)NC5(CCC(=O)O)OC45C(=O)OCCCCNC(=N)N)C(C)N=C(N1)N23 gsh prediction

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC4NC(=N)NC5(CCC(=O)O)OC45C(=O)OCCCCNC(=N)N)C(C)N=C(N1)N23 protein prediction

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC4NC(=N)NC5(CCC(=O)O)OC45C(=O)OCCCCNC(=N)N)C(C)N=C(N1)N23 cyanide prediction

CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC4NC(=N)NC5(CCC(=O)O)OC45C(=O)OCCCCNC(=N)N)C(C)N=C(N1)N23 dna prediction

Generation 3

protein · 0.01

*C1(CCC(=O)O)NC(=N)NC(CCCCCCCCCOC(=O)C2C(C)N=C3NC(CCCCCCCCC)CC4CCC2N34)C1(O)C(=O)OCCCCNC(=N)N |$Protein;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|