XenoSite

Benanomicin b

CHEBI
Phase 1ReactivityEpoxidationQuinonationN-DealkylationUGT Conjugation
Benanomicin b Epoxidation prediction
COc1cc(O)c2c(c1)C(=O)C13OC1(O)C1=C(C=C3C2=O)C(O)C(OC2OC(C)C(N)C(OC3OCC(O)C(O)C3O)C2O)c2cc(C)c(C(=O)NC(C)C(=O)O)c(O)c21 stable oxygenation prediction
COc1cc(O)c2c(c1)C(=O)C13OC1(O)C1=C(C=C3C2=O)C(O)C(OC2OC(C)C(N)C(OC3OCC(O)C(O)C3O)C2O)c2cc(C)c(C(=O)NC(C)C(=O)O)c(O)c21 unstable oxygenation prediction
COc1cc(O)c2c(c1)C(=O)C13OC1(O)C1=C(C=C3C2=O)C(O)C(OC2OC(C)C(N)C(OC3OCC(O)C(O)C3O)C2O)c2cc(C)c(C(=O)NC(C)C(=O)O)c(O)c21 dehydrogenation prediction
COc1cc(O)c2c(c1)C(=O)C13OC1(O)C1=C(C=C3C2=O)C(O)C(OC2OC(C)C(N)C(OC3OCC(O)C(O)C3O)C2O)c2cc(C)c(C(=O)NC(C)C(=O)O)c(O)c21 reduction prediction
COc1cc(O)c2c(c1)C(=O)C13OC1(O)C1=C(C=C3C2=O)C(O)C(OC2OC(C)C(N)C(OC3OCC(O)C(O)C3O)C2O)c2cc(C)c(C(=O)NC(C)C(=O)O)c(O)c21 hydrolysis prediction

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