Reducymol

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Reducymol N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COc1ccc(C(O)(C(C=NC=N)=CO)C2CC2)cc1 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

N=CN=CC(=CO)C(O)(C1=CC(=O)C(=O)C=C1)C1CC1 stable oxygenation prediction

N=CN=CC(=CO)C(O)(C1=CC(=O)C(=O)C=C1)C1CC1 unstable oxygenation prediction

N=CN=CC(=CO)C(O)(C1=CC(=O)C(=O)C=C1)C1CC1 dehydrogenation prediction

N=CN=CC(=CO)C(O)(C1=CC(=O)C(=O)C=C1)C1CC1 reduction prediction

N=CN=CC(=CO)C(O)(C1=CC(=O)C(=O)C=C1)C1CC1 hydrolysis prediction

Generation 3

Molecule must have at least 2 atoms: O