<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">133217</id>
  <title nil="true"/>
  <common-name>Cannabinor</common-name>
  <description nil="true"/>
  <cas>573981-31-4</cas>
  <pubchem-id>10174045</pubchem-id>
  <chemical-formula>C28H38O6</chemical-formula>
  <weight>470.6</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">2026-04-14T15:32:17Z</created-at>
  <updated-at type="dateTime">2026-08-22T08:33:37Z</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>DB05048</drugbank-id>
  <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>[H][C@]12C[C@]([H])(C(=O)C[C@@H]1C1=C(O)C=C(C=C1OC(=O)\C=C\C(O)=O)C(C)(C)CCCCCC)C2(C)C</moldb-smiles>
  <moldb-formula>C28H38O6</moldb-formula>
  <moldb-inchi>InChI=1S/C28H38O6/c1-6-7-8-9-12-27(2,3)17-13-22(30)26(23(14-17)34-25(33)11-10-24(31)32)18-15-21(29)20-16-19(18)28(20,4)5/h10-11,13-14,18-20,30H,6-9,12,15-16H2,1-5H3,(H,31,32)/b11-10+/t18-,19-,20+/m0/s1</moldb-inchi>
  <moldb-inchikey>GSTZHANFXAKPSE-MXTREEOPSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">470.606</moldb-average-mass>
  <moldb-mono-mass type="decimal">470.266838944</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.91</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>CHEM129110</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>(2E)-4-{2-[(1S,2S,5S)-6,6-dimethyl-4-oxobicyclo[3.1.1]heptan-2-yl]-3-hydroxy-5-(2-methyloctan-2-yl)phenoxy}-4-oxobut-2-enoic acid</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>Benzene and substituted derivatives</klass>
  <subklass>Cyclohexylphenols</subklass>
  <paper-count type="integer">33</paper-count>
  <sync-id>CED0026179</sync-id>
  <structure-inchikey>GSTZHANFXAKPSE-MXTREEOPSA-N</structure-inchikey>
  <structure-fingerprint>1000000000000800000002000000000000000000000000000010000000000000002000020800000000000200004800000000000000100000000000000010000000400000800010000000000000020000000000300000000000000000000000020010000000400000800100000000000020000000000008000000000100000000048004000000100000000010100000000000800000000000000000020000800080000000000004000080000000048800008000000000082000200000800000000000000202108000000008000000000020000080040000000000000000000000000100000000040000000010400000006000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������"���$���€�� 4��������`������ 4��������(�������(�������`������ 4�������@(������@(�������h�������@h�������@(������@h�������@(�������(�������(�������(�������h��������h��������(�������h��������(������� ������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`������������������������������h��	 �
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  <structure-indexed-at type="dateTime">2026-09-19T04:49:11Z</structure-indexed-at>
</compound>
