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 UGT Conjugation prediction

Generation 2

glucuronidation · 0.61

*Oc1cccc2c1C(=O)c1c(cc3c(c1[O-])C(OC1CC([NH+](C)C)C(OC4CC(O)C(O)C(C)O4)C(C)O1)CC(O)(CC)C3C=O)C2=O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|