Angenomalin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Angenomalin Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C=C(C)C1CC2=C(O1)C1OC1c1ccc(=O)oc12 stable oxygenation prediction

C=C(C)C1CC2=C(O1)C1OC1c1ccc(=O)oc12 unstable oxygenation prediction

C=C(C)C1CC2=C(O1)C1OC1c1ccc(=O)oc12 dehydrogenation prediction

C=C(C)C1CC2=C(O1)C1OC1c1ccc(=O)oc12 reduction prediction

C=C(C)C1CC2=C(O1)C1OC1c1ccc(=O)oc12 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1(C2CC3=C(O2)C2OC2c2ccc(=O)oc23)CO1 gsh prediction

CC1(C2CC3=C(O2)C2OC2c2ccc(=O)oc23)CO1 protein prediction

CC1(C2CC3=C(O2)C2OC2c2ccc(=O)oc23)CO1 cyanide prediction

CC1(C2CC3=C(O2)C2OC2c2ccc(=O)oc23)CO1 dna prediction

Generation 3

glutathionation · 0.82

*CC(C)(O)C1CC2=C(O1)C1OC1c1ccc(=O)oc12 |$GSH;;;;;;;;;;;;;;;;;;;$|