Adriamycinol

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Adriamycinol N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(O)C(O)C(C)O1 UGT Conjugation prediction

Generation 2

glucuronidation · 0.14

*Oc1c2c(c(O)c3c1C(OC1CC(O)C(O)C(C)O1)CC(O)(C(O)CO)C3)C(=O)c1cccc(OC)c1C2=O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|