<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">62592</id>
  <title nil="true"/>
  <common-name>7-[(3,7-Dimethylocta-2,6-dienyl)oxy]-4-methyl-2-benzopyrone</common-name>
  <description nil="true"/>
  <cas>36298-13-2</cas>
  <pubchem-id>1788982</pubchem-id>
  <chemical-formula>C20H24O3</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">2026-03-31T22:35:18Z</created-at>
  <updated-at type="dateTime">2026-05-20T16:57:15Z</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>CC(C)=CCCC(C)=CCOC1=CC2=C(C=C1)C(C)=CC(=O)O2</moldb-smiles>
  <moldb-formula>C20H24O3</moldb-formula>
  <moldb-inchi>InChI=1S/C20H24O3/c1-14(2)6-5-7-15(3)10-11-22-17-8-9-18-16(4)12-20(21)23-19(18)13-17/h6,8-10,12-13H,5,7,11H2,1-4H3</moldb-inchi>
  <moldb-inchikey>PFCHESZMLIVMTC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">312.409</moldb-average-mass>
  <moldb-mono-mass type="decimal">312.172545</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>1403749</chemspider-id>
  <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>CHEM058485</chemdb-id>
  <dsstox-id>DTXSID8052140</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00012897</susdat-id>
  <iupac>7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methylchromen-2-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>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Terpene lactones</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0132170</sync-id>
  <structure-inchikey>PFCHESZMLIVMTC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000800004000000000000000010000000000000000000000000000000000020200000000400000040004200000000000000000100000000000000000000000000000000000000000020800000000300000200000000000000000000010000000000080000100000000000000000000000000000000000401000000041000000000000000000000000000000100000000000000000400000000000000000000000040000080100000000000000080000000000040000000000000028020200000800000000000000000000000000202004000200000000000010800010000000000040000008000000000000100000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������`�������h��������`�������`�������(�������`�������h��������`�������(������@(������@h�������@(������@(������@h�������@h�������@(�������`������@h�������@(�������(������@(���������������������������������	�	
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� ��h��h��h���h���h���h������h���h���(���h���h��h�B��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:15:36Z</structure-indexed-at>
</compound>
