119733 <common-name>3-Penten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-</common-name> <description>3-Penten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)- belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. It is classified as a lipid and lipid-like molecule with the chemical formula C14H22O. The compound has an average molecular weight of 206.33 g/mol.</description> <cas nil="true"/> <pubchem-id>585271</pubchem-id> <chemical-formula>C14H22O</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">2026-04-06T02:50:21Z</created-at> <updated-at type="dateTime">2026-04-06T02:50:21Z</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(C)C1C(C)=CCCC1(C)C</moldb-smiles> <moldb-formula>C14H22O</moldb-formula> <moldb-inchi>InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)11(2)9-12(3)15/h7,9,13H,6,8H2,1-5H3</moldb-inchi> <moldb-inchikey>PSLHSYRVWGKZHP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">206.329</moldb-average-mass> <moldb-mono-mass type="decimal">206.1670653</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>CHEM115626</chemdb-id> <dsstox-id>DTXSID00342871</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00095821</susdat-id> <iupac>4-(2,6,6-Trimethylcyclohex-2-en-1-yl)pent-3-en-2-one</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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0157414</sync-id> <structure-inchikey>PSLHSYRVWGKZHP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000200000000000000000000000000010000400000008000000000400000020000000000000000000040500000080048000000000000008000001000200000000000000000800000000020000000000000000000000000080000001000000000000000000000004000000000000000000000100000000000002001000000000000002000000000000004000000000000000000000040000040000400000000000000000000008000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCBgBoAAAAAwMBBgAoAAAAAwQGAGAAAAABAwYAYAAAAAMBBgAo AAAAAwQGAGAAAAABAwYAaAAAAAMDAQYAYAAAAAICBgBgAAAAAgIGACAAAAAE BgBgAAAAAQMGAGAAAAABAwsAAQABAigCAQMgAwQoAgQFAAQGAAYHAAcIAAcJ CAIJCgAKCwALDAAMDQAMDgAMBgBCAQAAAAYGDAsKCQcXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:44:25Z</structure-indexed-at> </compound>