Benanomicin b

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Benanomicin b Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)C1=C(C=C(C)C4(C(=O)NC(C)C(=O)O)OC14O)C(OC1OC(C)C(N)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=O stable oxygenation prediction

COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)C1=C(C=C(C)C4(C(=O)NC(C)C(=O)O)OC14O)C(OC1OC(C)C(N)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=O unstable oxygenation prediction

COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)C1=C(C=C(C)C4(C(=O)NC(C)C(=O)O)OC14O)C(OC1OC(C)C(N)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=O dehydrogenation prediction

COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)C1=C(C=C(C)C4(C(=O)NC(C)C(=O)O)OC14O)C(OC1OC(C)C(N)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=O reduction prediction

COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)C1=C(C=C(C)C4(C(=O)NC(C)C(=O)O)OC14O)C(OC1OC(C)C(N)C(OC4OCC(O)C(O)C4O)C1O)C3O)C2=O hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 261 metabolites