<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">305663</id>
  <title nil="true"/>
  <common-name>2-hydroxy-2-(2-hydroxy-4,6-dimethylphenyl)indene-1,3-dione</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3054492</pubchem-id>
  <chemical-formula>C17H14O4</chemical-formula>
  <weight>282.29</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">2026-08-28T23:15:05Z</created-at>
  <updated-at type="dateTime">2026-08-28T23:15:05Z</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=CC(=C(C(=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O)C</moldb-smiles>
  <moldb-formula>C17H14O4</moldb-formula>
  <moldb-inchi>InChI=1S/C17H14O4/c1-9-7-10(2)14(13(18)8-9)17(21)15(19)11-5-3-4-6-12(11)16(17)20/h3-8,18,21H,1-2H3</moldb-inchi>
  <moldb-inchikey>IXLHEYKZCLDERJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">282.0892089</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</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>CHEM301556</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>2-hydroxy-2-(2-hydroxy-4,6-dimethylphenyl)indene-1,3-dione</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>Indanes</klass>
  <subklass>Indanones</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0256747</sync-id>
  <structure-inchikey>IXLHEYKZCLDERJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000100000000000000000000000000200000000000000080000000000000000000000000020000000408000000000000000000000000000000000000000000000000000000000000000000000000020000000004000000000000000000000000000010000000000000000100000000000000000000000000080000000000401000048000000800000000400000020000000000100000000000000000000000080000000000000000000080100000000000000000000000000000000000000000000000000002100000000000000000000000000002000000200000000000000000100000000000040000000000000400000400000000000000000000000</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���h��� ��(���������h������h�B������������	��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:14:23Z</structure-indexed-at>
</compound>
