<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">100036</id>
  <title nil="true"/>
  <common-name>A,ß,2,6,6-pentamethylcyclohex-2-ene-1-propan-1-ol</common-name>
  <description>A,ß,2,6,6-pentamethylcyclohex-2-ene-1-propan-1-ol belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules. The compound has the formula C14H26O and an average molecular weight of 210.36 g/mol.</description>
  <cas>93980-72-4</cas>
  <pubchem-id>25076551</pubchem-id>
  <chemical-formula>C14H26O</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">2026-04-05T07:21:49Z</created-at>
  <updated-at type="dateTime">2026-04-05T07:21:49Z</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(O)C(C)CC1C(C)=CCCC1(C)C</moldb-smiles>
  <moldb-formula>C14H26O</moldb-formula>
  <moldb-inchi>InChI=1/C14H26O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,11-13,15H,6,8-9H2,1-5H3</moldb-inchi>
  <moldb-inchikey>AXHHYECTTZUORY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">210.361</moldb-average-mass>
  <moldb-mono-mass type="decimal">210.1983655</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM095929</chemdb-id>
  <dsstox-id>DTXSID50916788</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00063003</susdat-id>
  <iupac nil="true"/>
  <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>Sesquiterpenoids</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0164335</sync-id>
  <structure-inchikey>AXHHYECTTZUORY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000000010000000000000100000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000004000000000000000000060000000000000000000040100000008048000000000000000000009000200000000000000000800000000020000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000001002000040000022000000000000004400000000000000000000140000040000000000004000000000000000000000000</structure-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:39:03Z</structure-indexed-at>
</compound>
