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=NC=N)=CO)C2CC2)C(=O)C1=O gsh prediction

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

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

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

Generation 3

dna · 0.17

*C1C=C(OC)C(=O)C(O)=C1C(O)(C(C=NC=N)=CO)C1CC1 |$DNA;;;;;;;;;;;;;;;;;;;;;;$|