Angenomalin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Angenomalin Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1(C2Cc3c(ccc4ccc(=O)oc34)O2)CO1 stable oxygenation prediction

CC1(C2Cc3c(ccc4ccc(=O)oc34)O2)CO1 unstable oxygenation prediction

CC1(C2Cc3c(ccc4ccc(=O)oc34)O2)CO1 dehydrogenation prediction

CC1(C2Cc3c(ccc4ccc(=O)oc34)O2)CO1 reduction prediction

CC1(C2Cc3c(ccc4ccc(=O)oc34)O2)CO1 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(O)(CO)C1Cc2c(ccc3ccc(=O)oc23)O1 Quinonation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(O)(CO)C1CC2=C(O1)C(=O)C(=O)c1ccc(=O)oc12 N-Dealkylation prediction