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)C1Cc2c(ccc3c2OC(=O)C2OC32)O1 stable oxygenation prediction

C=C(C)C1Cc2c(ccc3c2OC(=O)C2OC32)O1 unstable oxygenation prediction

C=C(C)C1Cc2c(ccc3c2OC(=O)C2OC32)O1 dehydrogenation prediction

C=C(C)C1Cc2c(ccc3c2OC(=O)C2OC32)O1 reduction prediction

C=C(C)C1Cc2c(ccc3c2OC(=O)C2OC32)O1 hydrolysis prediction

Generation 2

epoxidation · 0.30

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1(C2Cc3c(ccc4c3OC(=O)C3OC43)O2)CO1