Substrate
Generation 1

Abyssinone a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Abyssinone a stable oxygenation prediction

Abyssinone a unstable oxygenation prediction

Abyssinone a dehydrogenation prediction

Abyssinone a reduction prediction

Abyssinone a hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1(C)C=Cc2cc(C=CC(O)c3ccc(O)cc3O)cc(O)c2O1 gsh prediction

CC1(C)C=Cc2cc(C=CC(O)c3ccc(O)cc3O)cc(O)c2O1 protein prediction

CC1(C)C=Cc2cc(C=CC(O)c3ccc(O)cc3O)cc(O)c2O1 cyanide prediction

CC1(C)C=Cc2cc(C=CC(O)c3ccc(O)cc3O)cc(O)c2O1 dna prediction