Alisiaquinone b

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alisiaquinone b Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1cc(=O)c2c(=O)c3c(c(=O)c=2c1=O)C(=O)C1(O)OCC2(C)CCCC3(C)C21 stable oxygenation prediction

COc1cc(=O)c2c(=O)c3c(c(=O)c=2c1=O)C(=O)C1(O)OCC2(C)CCCC3(C)C21 unstable oxygenation prediction

COc1cc(=O)c2c(=O)c3c(c(=O)c=2c1=O)C(=O)C1(O)OCC2(C)CCCC3(C)C21 dehydrogenation prediction

COc1cc(=O)c2c(=O)c3c(c(=O)c=2c1=O)C(=O)C1(O)OCC2(C)CCCC3(C)C21 reduction prediction

COc1cc(=O)c2c(=O)c3c(c(=O)c=2c1=O)C(=O)C1(O)OCC2(C)CCCC3(C)C21 hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 111 metabolites