Reducymol

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Reducymol Quinonation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=CC=C(C(O)(c2cncnc2)C2CC2)C(=O)C1=O N-Dealkylation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=CC=C(C(O)(C(C=N)=CN=CO)C2CC2)C(=O)C1=O stable oxygenation prediction

COC1=CC=C(C(O)(C(C=N)=CN=CO)C2CC2)C(=O)C1=O unstable oxygenation prediction

COC1=CC=C(C(O)(C(C=N)=CN=CO)C2CC2)C(=O)C1=O dehydrogenation prediction

COC1=CC=C(C(O)(C(C=N)=CN=CO)C2CC2)C(=O)C1=O reduction prediction

COC1=CC=C(C(O)(C(C=N)=CN=CO)C2CC2)C(=O)C1=O hydrolysis prediction

Generation 3

Formaldehyde

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Formaldehyde gsh prediction

Formaldehyde protein prediction

Formaldehyde cyanide prediction

Formaldehyde dna prediction

Generation 4

Select a metabolite to form the next generation.