Substrate
Generation 1

Andrastin d

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Andrastin d stable oxygenation prediction

Andrastin d unstable oxygenation prediction

Andrastin d dehydrogenation prediction

Andrastin d reduction prediction

Andrastin d hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1=CC2C3(C)CCC(=O)C(C)(C)C3CCC2(C)C2(C(=O)O)C([O-])=C(C)C(=O)C12C Quinonation prediction