Substrate
Generation 1

Andrastin e

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Andrastin e stable oxygenation prediction

Andrastin e unstable oxygenation prediction

Andrastin e dehydrogenation prediction

Andrastin e reduction prediction

Andrastin e hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC(=O)C12C([O-])=C(C)CC1(C)C(C)=CC1C3(C)CCC(O)C(C)(C)C3CCC12C N-Dealkylation prediction