Substrate
Generation 1

Aculene d

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aculene d stable oxygenation prediction

Aculene d unstable oxygenation prediction

Aculene d dehydrogenation prediction

Aculene d reduction prediction

Aculene d hydrolysis prediction

Generation 1

dehydration · 0.41

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCC1=CCC2(C)C(O)CC(C)=CCC12