Angenomalin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Angenomalin stable oxygenation prediction

Angenomalin unstable oxygenation prediction

Angenomalin dehydrogenation prediction

Angenomalin reduction prediction

Angenomalin hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

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

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1(C2CC3=C(O2)C(=O)C(=O)c2ccc(=O)oc23)CO1 gsh prediction

CC1(C2CC3=C(O2)C(=O)C(=O)c2ccc(=O)oc23)CO1 protein prediction

CC1(C2CC3=C(O2)C(=O)C(=O)c2ccc(=O)oc23)CO1 cyanide prediction

CC1(C2CC3=C(O2)C(=O)C(=O)c2ccc(=O)oc23)CO1 dna prediction

Generation 3

dna · 0.02

*C1C=C(O)OC2=C1C(=O)C(=O)C1=C2CC(C2(C)CO2)O1 |$DNA;;;;;;;;;;;;;;;;;;;;$|