Aristolochic acid a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aristolochic acid a Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=c2c(c([N+](=O)[O-])cc3c2=CC=CC3=O)C(C(=O)O)=CC1=O stable oxygenation prediction

COC1=c2c(c([N+](=O)[O-])cc3c2=CC=CC3=O)C(C(=O)O)=CC1=O unstable oxygenation prediction

COC1=c2c(c([N+](=O)[O-])cc3c2=CC=CC3=O)C(C(=O)O)=CC1=O dehydrogenation prediction

COC1=c2c(c([N+](=O)[O-])cc3c2=CC=CC3=O)C(C(=O)O)=CC1=O reduction prediction

COC1=c2c(c([N+](=O)[O-])cc3c2=CC=CC3=O)C(C(=O)O)=CC1=O hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 107 metabolites