Angenomalin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Angenomalin Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C=C(C)C1CC2=C(O1)C(=O)C(=O)c1ccc(=O)oc12 stable oxygenation prediction

C=C(C)C1CC2=C(O1)C(=O)C(=O)c1ccc(=O)oc12 unstable oxygenation prediction

C=C(C)C1CC2=C(O1)C(=O)C(=O)c1ccc(=O)oc12 dehydrogenation prediction

C=C(C)C1CC2=C(O1)C(=O)C(=O)c1ccc(=O)oc12 reduction prediction

C=C(C)C1CC2=C(O1)C(=O)C(=O)c1ccc(=O)oc12 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C=C(C)C1CC2=C(O1)C(O)C(=O)c1ccc(=O)oc12 Epoxidation prediction

Generation 3

Select a metabolite to form the next generation.