<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338019</id>
  <title nil="true"/>
  <common-name>2-methyl-3,4,5-triphenylcyclopenta-2,4-dien-1-one</common-name>
  <description>2-methyl-3,4,5-triphenylcyclopenta-2,4-dien-1-one is a chemical compound with the formula C24H18O. It has an average molecular weight of 322.40 g/mol.</description>
  <cas>33535-80-7</cas>
  <pubchem-id>629478</pubchem-id>
  <chemical-formula>C24H18O</chemical-formula>
  <weight>322.4</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">2026-08-30T21:02:33Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:02:33Z</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(C(=C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C24H18O</moldb-formula>
  <moldb-inchi>InChI=1S/C24H18O/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23(24(17)25)20-15-9-4-10-16-20/h2-16H,1H3</moldb-inchi>
  <moldb-inchikey>MNEIVNVOIYFTCU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">322.1357652</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.2</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>CHEM333912</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-methyl-3,4,5-triphenylcyclopenta-2,4-dien-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>Stilbenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288448</sync-id>
  <structure-inchikey>MNEIVNVOIYFTCU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000002000000004000000000000000000000000000000002000000000000000000000000000000020000000000000000000008000000000000000000000000000000000000020000000000000000000000000000000000000000040000000840000000000000800800000000100000000000000000000000000000000000000000100080000010000000000000000080000000000000000000000000000200000000000000000000000000000002000000200000000000000000000000000000040000000000000000000000000000000000000000000</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���h�� �h���h���h���h���h��� ��h���h���h���h���h��� ��h��h���h�B������������	
��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:55Z</structure-indexed-at>
</compound>
