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 Quinonation prediction

Generation 2

quinone formation · 0.00

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)C2=C([O-])C3=C(C(=O)C2=C1C(=O)O)C(=O)c1cccc(O)c1C3=O