Aconifine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aconifine N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCNC1C2C(OC)C3C(C=O)(COC)C(O)CC(OC)C13C1(O)CC3(O)C(OC)C(O)C2(OC(C)=O)C1C3OC(=O)c1ccccc1 Epoxidation prediction

Generation 2

epoxidation · 0.00

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCNC1C2C(OC)C3C(C=O)(COC)C(O)CC(OC)C13C1(O)CC3(O)C(OC)C(O)C2(OC(C)=O)C1C3OC(=O)C1=CC2OC2C=C1