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=CC5OC5C(O)=C4C([O-])=C3C2=O)C1C(=O)OC gsh 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=CC5OC5C(O)=C4C([O-])=C3C2=O)C1C(=O)OC protein 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=CC5OC5C(O)=C4C([O-])=C3C2=O)C1C(=O)OC cyanide 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=CC5OC5C(O)=C4C([O-])=C3C2=O)C1C(=O)OC dna prediction

Generation 2

protein · 0.02

*C1C=C2C(=O)C3=CC4=C(C(=O)C3=C([O-])C2=C(O)C1O)C(OC1CC([NH+](C)C)C(OC2CC(O)C(O)C(C)O2)C(C)O1)CC(O)(CC)C4C(=O)OC |$Protein;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|