Substrate
Generation 1

Bauhinoxepin a

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Bauhinoxepin a stable oxygenation prediction

Bauhinoxepin a unstable oxygenation prediction

Bauhinoxepin a dehydrogenation prediction

Bauhinoxepin a reduction prediction

Bauhinoxepin a hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Cc1c(O)c2c(c3c1OC(C)(C)CC3)C=Cc1c(O)cccc1O2 gsh prediction

Cc1c(O)c2c(c3c1OC(C)(C)CC3)C=Cc1c(O)cccc1O2 protein prediction

Cc1c(O)c2c(c3c1OC(C)(C)CC3)C=Cc1c(O)cccc1O2 cyanide prediction

Cc1c(O)c2c(c3c1OC(C)(C)CC3)C=Cc1c(O)cccc1O2 dna prediction