Aclacinomycin s

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aclacinomycin s stable oxygenation prediction

Aclacinomycin s unstable oxygenation prediction

Aclacinomycin s dehydrogenation prediction

Aclacinomycin s reduction prediction

Aclacinomycin s hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c(cc3c(c2[O-])C(=O)c2c(O)cccc2C3=O)C1C(=O)O UGT Conjugation prediction

Generation 2

glucuronidation · 0.10

*OC(=O)C1c2cc3c(c([O-])c2C(OC2CC([NH+](C)C)C(OC4CC(O)C(O)C(C)O4)C(C)O2)CC1(O)CC)C(=O)c1c(O)cccc1C3=O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|