Aclacinomycin s

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aclacinomycin s Quinonation 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(=O)c4c(=O)ccc(=O)c=4c(=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)c2c(cc3c(=O)c4c(=O)ccc(=O)c=4c(=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)c2c(cc3c(=O)c4c(=O)ccc(=O)c=4c(=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)c2c(cc3c(=O)c4c(=O)ccc(=O)c=4c(=O)c3c2[O-])C1C(=O)OC dna prediction

Generation 2

protein · 0.00

*C1C=C(O)C2=C(C(=O)c3c(cc4c(c3[O-])C(OC3CC([NH+](C)C)C(OC5CC(O)C(O)C(C)O5)C(C)O3)CC(O)(CC)C4C(=O)OC)C2=O)C1=O |$Protein;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|