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ONTOLOGY REPORT - ANNOTATIONS


Term:flavoxate
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Accession:CHEBI:5088 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol.
Synonyms:exact_synonym: 2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate
 related_synonym: 2-(1-piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate;   2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate;   2-piperidinoethyl 3-methylflavone-8-carboxylate;   Formula=C24H25NO4;   InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3;   InChIKey=SPIUTQOUKAMGCX-UHFFFAOYSA-N;   SMILES=Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1;   beta-piperidinoethyl 3-methylflavone-8-carboxylate;   flavoxato;   flavoxatum
 xref: CAS:15301-69-6;   DrugBank:DB01148;   Drug_Central:1175;   KEGG:C07809;   KEGG:D07961;   LINCS:LSM-3050;   Patent:US2921070;   Patent:US3350411;   Reaxys:1300115;   Wikipedia:Flavoxate
 cyclic_relationship: is_conjugate_base_of CHEBI:61236


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  CHEBI ontology 227
    role 227
      application 195
        refrigerant 70
          ammonia 70
            organic amino compound 70
              tertiary amino compound 21
                flavoxate 0
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  CHEBI ontology 227
    subatomic particle 227
      composite particle 227
        hadron 227
          baryon 227
            nucleon 227
              atomic nucleus 227
                atom 227
                  main group element atom 220
                    p-block element atom 220
                      carbon group element atom 208
                        carbon atom 207
                          organic molecular entity 207
                            organic molecule 202
                              organic cyclic compound 186
                                organic heterocyclic compound 144
                                  oxacycle 53
                                    benzopyran 12
                                      1-benzopyran 12
                                        flavonoid 5
                                          flavones 4
                                            3-methylflavone-8-carboxylic acid 0
                                              flavoxate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.