79375 <common-name>Acetoxyvalerenic Acid</common-name> <description>Acetoxyvalerenic Acid belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. The compound has the chemical formula C17H24O4 and an average molecular weight of 292.38 g/mol.</description> <cas>81397-67-3</cas> <pubchem-id>6537490</pubchem-id> <chemical-formula>C17H24O4</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">2026-04-04T14:10:14Z</created-at> <updated-at type="dateTime">2026-04-04T14:10:14Z</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>C[C@@H]1CC[C@@H](C=C(/C)C(O)=O)C2=C(C)C[C@@H](OC(C)=O)[C@H]12</moldb-smiles> <moldb-formula>C17H24O4</moldb-formula> <moldb-inchi>InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13-,14+,16-/m1/s1</moldb-inchi> <moldb-inchikey>VBBXZFLAYWAXSK-HYJCDKNOSA-N</moldb-inchikey> <moldb-average-mass type="decimal">292.375</moldb-average-mass> <moldb-mono-mass type="decimal">292.167459</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4943984</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>CHEM075268</chemdb-id> <dsstox-id>DTXSID3033145</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038119</susdat-id> <iupac>(E)-3-[(1R,4S,7R,7aR)-1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer">29</paper-count> <sync-id>CED0027027</sync-id> <structure-inchikey>VBBXZFLAYWAXSK-NXYFWLRCSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000000000000000000000000000000000018000000000000000000000000000040000000004020000000000020000000000000000004000000000000000000000000000000028000000000300000004800000000000000002010000000000000000000000000000020000000000002000000000500010000040000000000000000200800000040000000000000000000000000000000000040004000000002000080000000100000000004000000008000000000000000000008000000000000000000000000000000000002000000000000000000000000040010000100080000000000400000000000010000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFgAAAIABBgBgAAAAAQMGIDQAAAAC AQQGAGAAAAACAgYAYAAAAAICBiA0AAAAAQEEBgBoAAAAAwMBBgAoAAAAAwQG AGAAAAABAwYAKAAAAAMECABoAAAAAwEBCAAoAAAAAwIGACgAAAADBAYAKAAA AAMEBgBgAAAAAQMGAGAAAAACAgYgNAAAAAEBBAgAKAAAAAMCBgAoAAAAAwQG AGAAAAABAwgAKAAAAAMCBiA0AAAAAgEECwABAAECAAIDAAMEAAQFAAUGKAIG BwAGCCAICSAICigCBAsACwwIAgwNAAwOAA4PAA8QABARIBESABETKAIPFAAU 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