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 UGT Conjugation prediction

Generation 2

glucuronidation · 0.06

*OC1C(O)CC(OC2C(C)OC(OC3CC(O)(CC)C(C(=O)OC)C4=C3C(=O)C3=C([O-])C5=C(C=CC6OC56O)C(=O)C3=C4)CC2[NH+](C)C)OC1C |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|