Aspernigrin b

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aspernigrin b N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1cc(C(O)Cc2ccccc2)oc(=O)c1 stable oxygenation prediction

COc1cc(C(O)Cc2ccccc2)oc(=O)c1 unstable oxygenation prediction

COc1cc(C(O)Cc2ccccc2)oc(=O)c1 dehydrogenation prediction

COc1cc(C(O)Cc2ccccc2)oc(=O)c1 reduction prediction

COc1cc(C(O)Cc2ccccc2)oc(=O)c1 hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 66 metabolites