Ahba

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Ahba Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

NC1=CC(=O)C=C(C(=O)O)C1=O stable oxygenation prediction

NC1=CC(=O)C=C(C(=O)O)C1=O unstable oxygenation prediction

NC1=CC(=O)C=C(C(=O)O)C1=O dehydrogenation prediction

NC1=CC(=O)C=C(C(=O)O)C1=O reduction prediction

NC1=CC(=O)C=C(C(=O)O)C1=O hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

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