Aurachin b

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aurachin b stable oxygenation prediction

Aurachin b unstable oxygenation prediction

Aurachin b dehydrogenation prediction

Aurachin b reduction prediction

Aurachin b hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)=CCCC(C)=CCCC(=CCc1c(O)c(C)[n+]([O-])c2ccccc12)CO Epoxidation prediction

Generation 2

epoxidation · 0.12

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)=CCCC(C)=CCCC1(CO)OC1Cc1c(O)c(C)[n+]([O-])c2ccccc12