Aclacinomycin s

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aclacinomycin s Epoxidation 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)C2=C(C=C3C(=O)C4=C(C([O-])=C3C2=O)C2(O)OC2C=C4)C1C(=O)OC stable oxygenation prediction

CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=C(C([O-])=C3C2=O)C2(O)OC2C=C4)C1C(=O)OC unstable oxygenation prediction

CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=C(C([O-])=C3C2=O)C2(O)OC2C=C4)C1C(=O)OC dehydrogenation prediction

CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=C(C([O-])=C3C2=O)C2(O)OC2C=C4)C1C(=O)OC reduction prediction

CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=C(C([O-])=C3C2=O)C2(O)OC2C=C4)C1C(=O)OC hydrolysis prediction

Generation 2

Molecule must have at least 2 atoms: O