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(CCCO)=C4C(=O)OCCCCNC(=N)N)C(C)N=C(N1)N23 UGT Conjugation prediction

Generation 2

glucuronidation · 0.54

*OCCCC1=C(C(=O)OCCCCNC(=N)N)C(CCCCCCCCCOC(=O)C2C(C)N=C3NC(CCCCCCCCC)CC4CCC2N34)NC(=N)N1 |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|