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<compound>
  <id type="integer">69416</id>
  <title nil="true"/>
  <common-name>3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone</common-name>
  <description>3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone belongs to the flavones, a subclass of flavonoids within the organic compounds. This compound is classified under the superclass of phenylpropanoids and polyketides. It has the chemical formula C17H14O6 and an average molecular weight of 314.29 g/mol.</description>
  <cas>15486-33-6</cas>
  <pubchem-id>5378823</pubchem-id>
  <chemical-formula>C17H14O6</chemical-formula>
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  <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">2026-04-03T15:14:30Z</created-at>
  <updated-at type="dateTime">2026-04-03T15:14:30Z</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 nil="true"/>
  <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>COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(OC)C=C2O1</moldb-smiles>
  <moldb-formula>C17H14O6</moldb-formula>
  <moldb-inchi>InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3</moldb-inchi>
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  <moldb-average-mass type="decimal">314.293</moldb-average-mass>
  <moldb-mono-mass type="decimal">314.079038</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4527561</chemspider-id>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM065309</chemdb-id>
  <dsstox-id>DTXSID70165751</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00025030</susdat-id>
  <iupac>3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one</iupac>
  <moldb-polar-surface-area>85.22000000000001</moldb-polar-surface-area>
  <moldb-refractivity>83.8459</moldb-refractivity>
  <moldb-polarizability>31.854013077175523</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>6</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>7.1510949126539325</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.8564628618097627</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>2.55</moldb-alogps-logp>
  <moldb-alogps-logs>-3.77</moldb-alogps-logs>
  <moldb-alogps-solubility>5.39e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Phenylpropanoids and polyketides</superklass>
  <klass>Flavonoids</klass>
  <subklass>Flavones</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0090123</sync-id>
  <structure-inchikey>KZBAXKKOXPLOBX-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:19:11Z</structure-indexed-at>
</compound>
