<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">312787</id>
  <title nil="true"/>
  <common-name>3-[(e)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol</common-name>
  <description>3-[(e)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol is a chemical compound with the formula C18H20O2. It has an average molecular weight of 268.30 g/mol.</description>
  <cas>80149-87-7</cas>
  <pubchem-id>3036170</pubchem-id>
  <chemical-formula>C18H20O2</chemical-formula>
  <weight>268.3</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">2026-08-29T09:29:09Z</created-at>
  <updated-at type="dateTime">2026-08-29T09:29:09Z</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>CCC(=C(CC)C1=CC(=CC=C1)O)C2=CC(=CC=C2)O</moldb-smiles>
  <moldb-formula>C18H20O2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H20O2/c1-3-17(13-7-5-9-15(19)11-13)18(4-2)14-8-6-10-16(20)12-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+</moldb-inchi>
  <moldb-inchikey>SVUHJMMOTKIXMR-ISLYRVAYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">268.1463299</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM308680</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>3-[(e)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol</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>CED0263713</sync-id>
  <structure-inchikey>SVUHJMMOTKIXMR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000800000000000000000000000000000000000000000000000000002000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000010000000000000000100000200000000000000000000000000000000001000040000001800000000000000000000000000000000000000000000000000200000000000000000000084000000000000000002000000200000000000000000000000000002000000000000000000000000000800000000200000000000000000000000000000040000000000000000000000000004000000000000000</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:19:40Z</structure-indexed-at>
</compound>
