<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">45396</id>
  <title nil="true"/>
  <common-name>[3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl]triphenylphosphonium</common-name>
  <description nil="true"/>
  <cas>751-83-7</cas>
  <pubchem-id>6365508</pubchem-id>
  <chemical-formula>C33H38P</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">2016-06-03T12:00:54Z</created-at>
  <updated-at type="dateTime">2026-03-26T22:52:54Z</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>[H]\C(C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=C(/C)\C(\[H])=C(/[H])C1=C(C)CCCC1(C)C</moldb-smiles>
  <moldb-formula>C33H38P</moldb-formula>
  <moldb-inchi>InChI=1S/C33H38P/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31/h5-13,16-24H,14-15,25-26H2,1-4H3/q+1/b23-22+,27-24-</moldb-inchi>
  <moldb-inchikey>UJUZVVSRNMBGRO-LVLPOLCMSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">465.64</moldb-average-mass>
  <moldb-mono-mass type="decimal">465.270564642</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4896264</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>CHEM044291</chemdb-id>
  <dsstox-id>DTXSID20890526</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00005925</stoff-ident-id>
  <susdat-id>NS00004833</susdat-id>
  <iupac>[(2Z,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-2,4-dien-1-yl]triphenylphosphanium</iupac>
</compound>
