Substrate
Generation 1

Aescinidin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aescinidin stable oxygenation prediction

Aescinidin unstable oxygenation prediction

Aescinidin dehydrogenation prediction

Aescinidin reduction prediction

Aescinidin hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O gsh prediction

CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O protein prediction

CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O cyanide prediction

CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O dna prediction