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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:3',4'-dihydroxyaurone
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Accession:CHEBI:144745 term browser browse the term
Definition:A hydroxyaurone that is aurone which is substituted by hydroxy groups at the 3' and 4' positions; major species at pH 7.3. It shows inhibitory activity against several isoforms of the histone deacetylase complex (HDAC).
Synonyms:related_synonym: (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one
 xref: pubmed:25455492;   pubmed:30529567
 chemrof_formula: C15H10O4
 chemrof_inchikey: HCBULGQMULJTCM-ZSOIEALJSA-N
 chemrof_inchi: InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H/b14-8-
 chemrof_smiles: O=C1/C(=C/c2ccc(O)c(O)c2)Oc2ccccc21
 cyclic_relationship: has_functional_parent CHEBI:144742


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      biological role 20831
        inhibitor 19071
          enzyme inhibitor 18710
            EC 3.* (hydrolase) inhibitor 17214
              EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor 15467
                EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor 15467
                  EC 3.5.1.98 (histone deacetylase) inhibitor 15214
                    3',4'-dihydroxyaurone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                organic heterocyclic compound 19381
                                  oxacycle 18273
                                    benzofurans 3322
                                      1-benzofurans 1437
                                        aurones 20
                                          hydroxyaurone 20
                                            3',4'-dihydroxyaurone 0
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