<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4921</id>
  <title>T3D4866</title>
  <common-name>cis-Citral</common-name>
  <description>Citral is found in carrot. Citral, or 3,7-dimethyl-2,6-octadienal or lemonal, is either of, or a mixture of, a pair of terpenoids with the molecular formula C10H16O. The two compounds are double bond isomers. The E-isomer is known as geranial or citral A. The Z-isomer is known as neral or citral B. Citral has been shown to exhibit apoptotic, anti-nociceptive and anti-inflammatory functions (A7910, A7911, A7912). Citral belongs to the family of Monoterpenes. These are compounds contaning a chain of two isoprene units.</description>
  <cas>5392-40-5</cas>
  <pubchem-id>643779</pubchem-id>
  <chemical-formula>C10H16O</chemical-formula>
  <weight>152.23</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point>229°C (444.2°F)</boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:19:58Z</created-at>
  <updated-at type="dateTime">2026-04-16T21:08:42Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Citral</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C09847</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>29020</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(C)=CCC\C(C)=C\C=O</moldb-smiles>
  <moldb-formula>C10H16O</moldb-formula>
  <moldb-inchi>InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+</moldb-inchi>
  <moldb-inchikey>WTEVQBCEXWBHNA-JXMROGBWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">152.237</moldb-average-mass>
  <moldb-mono-mass type="decimal">152.120115135</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id>HMDB35092</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>558878</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003822</chemdb-id>
  <dsstox-id>DTXSID60881216</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00076551</susdat-id>
  <iupac>(2E)-3,7-dimethylocta-2,6-dienal</iupac>
</compound>
