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

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

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

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

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