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

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C=C(C)C1Cc2c(ccc(C3OC3C(=O)O)c2O)O1 Quinonation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

C=C(C)C1CC2=C(O1)C(=O)C=C(C1OC1C(=O)O)C2=O stable oxygenation prediction

C=C(C)C1CC2=C(O1)C(=O)C=C(C1OC1C(=O)O)C2=O unstable oxygenation prediction

C=C(C)C1CC2=C(O1)C(=O)C=C(C1OC1C(=O)O)C2=O dehydrogenation prediction

C=C(C)C1CC2=C(O1)C(=O)C=C(C1OC1C(=O)O)C2=O reduction prediction

C=C(C)C1CC2=C(O1)C(=O)C=C(C1OC1C(=O)O)C2=O hydrolysis prediction

Generation 4

Select a metabolite to form the next generation.

Showing 5 of 83 metabolites