Substrate
Generation 1
Generation 2

Abietal

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Abietal Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)C12CCC3C(=CCC4C(C)(C=O)CCCC34C)C1O2 stable oxygenation prediction

CC(C)C12CCC3C(=CCC4C(C)(C=O)CCCC34C)C1O2 unstable oxygenation prediction

CC(C)C12CCC3C(=CCC4C(C)(C=O)CCCC34C)C1O2 dehydrogenation prediction

CC(C)C12CCC3C(=CCC4C(C)(C=O)CCCC34C)C1O2 reduction prediction

CC(C)C12CCC3C(=CCC4C(C)(C=O)CCCC34C)C1O2 hydrolysis prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)C12CCC3C(=CCC4C(C)(CO)CCCC34C)C1O2 Quinonation prediction