Reducymol

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Reducymol stable oxygenation prediction

Reducymol unstable oxygenation prediction

Reducymol dehydrogenation prediction

Reducymol reduction prediction

Reducymol hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Oc1ccc(C(O)(c2cncnc2)C2CC2)cc1 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

O=C1C=C(C(O)(c2cncnc2)C2CC2)C(=O)C=C1O UGT Conjugation prediction

Generation 3

glucuronidation · 0.20

*OC(C1=CC(=O)C(O)=CC1=O)(c1cncnc1)C1CC1 |$GlcA;;;;;;;;;;;;;;;;;;;;$|