XenoSite

Aconitine

CHEBI
Phase 1ReactivityEpoxidationQuinonationN-DealkylationUGT Conjugation
Aconitine N-Dealkylation prediction
COCC12CNC3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1 stable oxygenation prediction
COCC12CNC3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1 unstable oxygenation prediction
COCC12CNC3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1 dehydrogenation prediction
COCC12CNC3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1 reduction prediction
COCC12CNC3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1 hydrolysis prediction
COCC12CNC3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(O)C1C4(OC(C)=O)C(O)C2OC UGT Conjugation prediction

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