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<compound>
  <id type="integer">103607</id>
  <title nil="true"/>
  <common-name>Dnc012504</common-name>
  <description>Dnc012504 is an organic compound with the formula C15H14O2 and an average molecular weight of 226.27 g/mol. Dnc012504 belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Within the broader classification of benzenoids, this compound is recorded as an inhibitor of the protein target Prostaglandin G/H synthase 1 (PTGS1).</description>
  <cas>10532-14-6</cas>
  <pubchem-id>448006</pubchem-id>
  <chemical-formula>C15H14O2</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-05T10:46:33Z</created-at>
  <updated-at type="dateTime">2026-05-14T17:25:48Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB02047</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C[C@H](C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C15H14O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1</moldb-inchi>
  <moldb-inchikey>JALUUBQFLPUJMY-NSHDSACASA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">226.2705</moldb-average-mass>
  <moldb-mono-mass type="decimal">226.0993797</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM099500</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00068048</susdat-id>
  <iupac>(2S)-2-{[1,1'-biphenyl]-4-yl}propanoic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Biphenyls and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0158275</sync-id>
  <structure-inchikey>JALUUBQFLPUJMY-NSHDSACASA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:41:06Z</structure-indexed-at>
</compound>
