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 stable oxygenation prediction

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 unstable oxygenation prediction

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 dehydrogenation prediction

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 reduction prediction

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 hydrolysis prediction

Generation 2

Select a metabolite to form the next generation.

Showing 5 of 199 metabolites