27123 <common-name>Anthecotulide</common-name> <description>Anthecotulide is an organic compound with the formula C15H20O3 and an average molecular weight of 248.32 g/mol. Anthecotulide belongs to the terpene lactones, a subclass of prenol lipids within the organic compounds. This substance is found in or released from 13 recorded sources across several diverse sectors. Within electrical and electronic equipment, it is associated with batteries, capacitors, cell phones, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Furthermore, it is found in lubricants used in both the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector, along with one other sector. Recorded exposure routes for this compound include oral, inhalation, and touch.</description> <cas nil="true"/> <pubchem-id>11962174</pubchem-id> <chemical-formula>C15H20O3</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">2016-05-25T22:44:30Z</created-at> <updated-at type="dateTime">2026-04-06T01:35:47Z</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(C)=CC(=O)C\C(C)=C\CC1COC(=O)C1=C</moldb-smiles> <moldb-formula>C15H20O3</moldb-formula> <moldb-inchi>InChI=1S/C15H20O3/c1-10(2)7-14(16)8-11(3)5-6-13-9-18-15(17)12(13)4/h5,7,13H,4,6,8-9H2,1-3H3/b11-5+</moldb-inchi> <moldb-inchikey>WSKLYRKBPFVGEJ-VZUCSPMQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.3175</moldb-average-mass> <moldb-mono-mass type="decimal">248.141244506</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>10136417</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>CHEM026018</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00093987</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>43.370000000000005</moldb-polar-surface-area> <moldb-refractivity>72.7799</moldb-refractivity> <moldb-polarizability>27.192492904844503</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>16.943029055772236</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.451724076527883</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.13</moldb-alogps-logp> <moldb-alogps-logs>-3.41</moldb-alogps-logs> <moldb-alogps-solubility>9.63e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Terpene lactones</subklass> <paper-count type="integer">20</paper-count> <sync-id>CED0030091</sync-id> <structure-inchikey>WSKLYRKBPFVGEJ-VZUCSPMQSA-N</structure-inchikey> <structure-fingerprint>180000000000800000000000040000800000000000000000000000000000000000000020000000000000000000000000000000400000000100000000000800000000000000000000000000000020800000000200000000002008000000000000010000000000000000000000000000020000000000000000000000500000000040000020800000008000000080000010000000000000000000400000800000000000000000000200080000000020000000010000000000800000000000000000410000000010000000000000000000000000200000000000000000000000000000000000000000000040000410000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������`�������h��������(�������(�������`�������(�������`�������h��������`�������`�������`�������(�������(�������(�������(�������h���������������(��� ��(������������ ���� �� ������ � � ��(��� ��(����B������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:09:57Z</structure-indexed-at> </compound>