Aspernigrin a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aspernigrin a N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC=C(C(N)=O)C(=O)C=C(O)Cc1ccccc1 gsh prediction

NC=C(C(N)=O)C(=O)C=C(O)Cc1ccccc1 protein prediction

NC=C(C(N)=O)C(=O)C=C(O)Cc1ccccc1 cyanide prediction

NC=C(C(N)=O)C(=O)C=C(O)Cc1ccccc1 dna prediction

Generation 2

Select a metabolite to form the next generation.