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=O)C=NC=N)C2CC2)C(=O)C1=O Epoxidation prediction

Generation 3

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

COC1=CC=C(C(O)(C2CC2)C2(C=NC=N)OC2=O)C(=O)C1=O gsh prediction

COC1=CC=C(C(O)(C2CC2)C2(C=NC=N)OC2=O)C(=O)C1=O protein prediction

COC1=CC=C(C(O)(C2CC2)C2(C=NC=N)OC2=O)C(=O)C1=O cyanide prediction

COC1=CC=C(C(O)(C2CC2)C2(C=NC=N)OC2=O)C(=O)C1=O dna prediction

Generation 4

glutathionation · 0.10

*C(=O)C(O)(C=NC=N)C(O)(C1=CC=C(OC)C(=O)C1=O)C1CC1 |$GSH;;;;;;;;;;;;;;;;;;;;;;;$|