<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">321278</id>
  <title nil="true"/>
  <common-name>(e)-3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>42607537</pubchem-id>
  <chemical-formula>C20H18O5</chemical-formula>
  <weight>338.4</weight>
  <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">2026-08-29T20:39:44Z</created-at>
  <updated-at type="dateTime">2026-08-29T20:39:44Z</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>CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC(=C(C=C3)O)O)C</moldb-smiles>
  <moldb-formula>C20H18O5</moldb-formula>
  <moldb-inchi>InChI=1S/C20H18O5/c1-20(2)10-9-14-18(25-20)8-5-13(19(14)24)15(21)6-3-12-4-7-16(22)17(23)11-12/h3-11,22-24H,1-2H3/b6-3+</moldb-inchi>
  <moldb-inchikey>PSRXBIVVQYDUHH-ZZXKWVIFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">338.1154237</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM317171</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(e)-3-(3,4-dihydroxyphenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one</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>Phenylpropanoids and polyketides</superklass>
  <klass>Linear 1,3-diarylpropanoids</klass>
  <subklass>Chalcones and dihydrochalcones</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0272000</sync-id>
  <structure-inchikey>PSRXBIVVQYDUHH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>42000041000004001000000000000080000000000000000000200800000000000000000000000010000000000000000000000000000000000000000000000000000000001000000000040000000000000020800000000200000000000000000000001000010000001000000000100000000000040000000000000000000000004010000048000000000000000000002000000000000000000000000000000020200000080000000000000000080000000000000000000000100000000000000000000000000000002100000000000000100000000000000001000200000000000000004000000000002040040000400400000000000000000100000010004040</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������h��������h�������@(������@(�������(������@h�������@h�������@(������@(�������h��������(�������(�������h��������h�������@(������@h�������@(������@(������@h�������@h��������h��������h��������`��������������(��� ��h��� ��h���h��	h�	
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�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:26:10Z</structure-indexed-at>
</compound>
