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ONTOLOGY REPORT - ANNOTATIONS


Term:5-O-desmethyldonepezil
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Accession:CHEBI:145216 term browser browse the term
Definition:A member of the class of piperidines that is donepezil in which the 5-methoxy group has been demethylated to the corresponding hydroxy derivative. It is metabolite of donepezil, a drug used in the treatment of dementia.
Synonyms:exact_synonym: 2-[(1-benzylpiperidin-4-yl)methyl]-5-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-one
 related_synonym: 1-benzyl-4-(5-hydroxy-6-methoxy-1-oxo-indan-2-yl)methylpiperidine;   2-(1-benzylpiperidine-4-ylmethyl)-5-hydroxy-6-methoxyindan-1-one;   2-[(1-benzyl-4-piperidinyl)methyl]-5-hydroxy-6-methoxyindan-1-one;   2-[(1-benzylpiperidin-4-yl)methyl]-5-hydroxy-6-methoxy-2,3-dihydroinden-1-one;   5-O-desmethyl donepezil;   Formula=C23H27NO3;   InChI=1S/C23H27NO3/c1-27-22-14-20-18(13-21(22)25)12-19(23(20)26)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3;   InChIKey=DSMISVLYMKJMLP-UHFFFAOYSA-N;   SMILES=C1(=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)[H])OC)O
 xref: CAS:120013-57-2 "ChemIDplus";   HMDB:HMDB0013958;   PMID:22644152 "Europe PMC";   PMID:26349080 "Europe PMC"


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  CHEBI ontology 19748
    role 19695
      biological role 19693
        biochemical role 19191
          metabolite 19162
            xenobiotic metabolite 13855
              human xenobiotic metabolite 13047
                drug metabolite 4393
                  5-O-desmethyldonepezil 0
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  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic molecule 19434
                              organic cyclic compound 19201
                                carbocyclic compound 17553
                                  benzenoid aromatic compound 17101
                                    benzenes 16831
                                      methoxybenzenes 828
                                        monomethoxybenzene 727
                                          guaiacols 319
                                            5-O-desmethyldonepezil 0
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