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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:2,3-bis(4-hydroxyphenyl)propionitrile
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Accession:CHEBI:63949 term browser browse the term
Definition:A nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor beta (ERbeta).
Synonyms:exact_synonym: 2,3-BHPPN ;   2,3-bis(4-hydroxyphenyl)propanenitrile;   DPN compound
 related_synonym: 2,3-bis(p-hydroxyphenyl)propionitrile;   Formula=C15H13NO2;   InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2;   InChIKey=GHZHWDWADLAOIQ-UHFFFAOYSA-N;   SMILES=Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1
 alt_id: MESH:C486182
 xref: CAS:1428-67-7;   LINCS:LSM-1423
 xref_mesh: MESH:C486182
 xref: PMID:21268084;   PMID:21397017;   PMID:21636213;   PMID:21712365;   Reaxys:3337109


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Path 1
Term Annotations click to browse term
  CHEBI ontology 499
    chemical entity 499
      group 493
        pseudohalo group 2
          cyano group 2
            nitrile 2
              2,3-bis(4-hydroxyphenyl)propionitrile 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            one-carbon compound 310
                              hydrogen cyanide 2
                                cyanides 2
                                  nitrile 2
                                    2,3-bis(4-hydroxyphenyl)propionitrile 0
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