XenoSite

Aconitine

CHEBI
Phase 1ReactivityEpoxidationQuinonationN-DealkylationUGT Conjugation
Aconitine Epoxidation prediction
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)C5=CC=CC6OC56)C(C(OC)C23)C14 stable oxygenation prediction
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)C5=CC=CC6OC56)C(C(OC)C23)C14 unstable oxygenation prediction
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)C5=CC=CC6OC56)C(C(OC)C23)C14 dehydrogenation prediction
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)C5=CC=CC6OC56)C(C(OC)C23)C14 reduction prediction
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)C5=CC=CC6OC56)C(C(OC)C23)C14 hydrolysis prediction
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(O)(C5C6OC(=O)C5=CC=CC6OC56)C(C(OC)C23)C14 N-Dealkylation prediction

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