XenoSite

Aclacinomycin s

CHEBI
Phase 1ReactivityEpoxidationQuinonationN-DealkylationUGT Conjugation
Aclacinomycin s Epoxidation prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c([cH-]c3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)C1C(=O)OC Quinonation prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)=c2c([cH-]c3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)=C1C(=O)OC stable oxygenation prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)=c2c([cH-]c3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)=C1C(=O)OC unstable oxygenation prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)=c2c([cH-]c3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)=C1C(=O)OC dehydrogenation prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)=c2c([cH-]c3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)=C1C(=O)OC reduction prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)=c2c([cH-]c3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3=O)=C1C(=O)OC hydrolysis prediction
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)=c2c([cH-]c3c(c2=O)C(=O)C2=C(C=CC4OC24O)C3)=C1C(=O)OC UGT Conjugation prediction
glucuronidation · 0.21
*OC1CC(OC2C(C)OC(OC3=c4c([cH-]c5c(c4=O)C(=O)C4=C(C=CC6OC46O)C5)=C(C(=O)OC)C(O)(CC)C3)CC2[NH+](C)C)OC(C)C1O |$GlcA;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Probability scale from 0.0 to 1.0