Agrocin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Agrocin Epoxidation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)C(O)C(O)C(=O)NP(=O)(O)OCC1OC(N2C=NC34OC23N=CN=C4NP(=O)(O)OC2OC(C(O)CO)C(O)C2O)C(O)C1O N-Dealkylation prediction

Generation 2

dealkylation · 0.02

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC(C)C(O)C(O)C(=O)NP(=O)(O)OCC1OC(=O)C(O)C1O