Agnoside

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Agnoside Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(C(=O)OCC2=CC(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C23)C(=O)C=C1O stable oxygenation prediction

O=C1C=C(C(=O)OCC2=CC(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C23)C(=O)C=C1O unstable oxygenation prediction

O=C1C=C(C(=O)OCC2=CC(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C23)C(=O)C=C1O dehydrogenation prediction

O=C1C=C(C(=O)OCC2=CC(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C23)C(=O)C=C1O reduction prediction

O=C1C=C(C(=O)OCC2=CC(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C23)C(=O)C=C1O hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 141 metabolites