Camelliol c

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Camelliol c Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)=CCCC(C)=CCCC1(C)OC1CCC=C(C)CCC1C(C)=CCC(O)C1(C)C stable oxygenation prediction

CC(C)=CCCC(C)=CCCC1(C)OC1CCC=C(C)CCC1C(C)=CCC(O)C1(C)C unstable oxygenation prediction

CC(C)=CCCC(C)=CCCC1(C)OC1CCC=C(C)CCC1C(C)=CCC(O)C1(C)C dehydrogenation prediction

CC(C)=CCCC(C)=CCCC1(C)OC1CCC=C(C)CCC1C(C)=CCC(O)C1(C)C reduction prediction

CC(C)=CCCC(C)=CCCC1(C)OC1CCC=C(C)CCC1C(C)=CCC(O)C1(C)C hydrolysis prediction

Generation 2

hydroxylation · 0.11

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)=CCCC(C)=CCCC1(C)OC1CCC=C(CO)CCC1C(C)=CCC(O)C1(C)C