18657 <common-name>Parthenolide</common-name> <description>Parthenolide is an organic compound with the formula C15H20O3 and an average molecular weight of 248.32 g/mol. Parthenolide belongs to the terpene lactones, a subclass of prenol lipids within the organic compounds. Industrially, the substance is used as a conditioner and softener. The compound is found in or released from 13 recorded sources across several sectors. These include electrical and electronic equipment, such as batteries, capacitors, printed circuit boards, wires and cables, and cell phones. 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. Additionally, it is found in lubricants used in energy, oil and gas, as well as industrial manufacturing and chemical processing. Other sources include carpets, rugs, and synthetic textiles within the textiles, leather and furnishings sector, among one other sector. Recorded routes of exposure include oral, inhalation, and touch. Parthenolide interacts with six recorded protein targets. It acts as an inhibitor of Inhibitor of nuclear factor kappa-B kinase subunit beta (IKBKB), Nuclear factor NF-kappa-B p105 subunit (NFKB1), Nuclear factor NF-kappa-B p100 subunit (NFKB2), and Transcription factor p65 (RELA), in addition to two other proteins.</description> <cas>20554-84-1</cas> <pubchem-id>5420805</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">2016-05-22T04:27:33Z</created-at> <updated-at type="dateTime">2026-05-14T19:29:26Z</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>DB13063</drugbank-id> <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]\C1=C(C)\CC[C@@]2([H])C(=C)C(=O)O[C@]2([H])[C@]2([H])O[C@]2(C)CC1</moldb-smiles> <moldb-formula>C15H20O3</moldb-formula> <moldb-inchi>InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1</moldb-inchi> <moldb-inchikey>KTEXNACQROZXEV-QLIGOWBFSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.322</moldb-average-mass> <moldb-mono-mass type="decimal">248.141244504</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.07</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4976071</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>CHEM017552</chemdb-id> <dsstox-id>DTXSID2040579</dsstox-id> <toxcast-id>40579</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00094659</susdat-id> <iupac>(1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0^{2,4}]tetradec-7-en-13-one</iupac> <moldb-polar-surface-area>38.83</moldb-polar-surface-area> <moldb-refractivity>68.55290000000001</moldb-refractivity> <moldb-polarizability>27.02953880201855</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.2427719335752</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.03</moldb-alogps-logp> <moldb-alogps-logs>-3.10</moldb-alogps-logs> <moldb-alogps-solubility>1.96e-01 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">5997</paper-count> <sync-id>CED0004058</sync-id> <structure-inchikey>KTEXNACQROZXEV-SLXBATTESA-N</structure-inchikey> <structure-fingerprint>40100800000000000000000800000000000000800000000004000000040000000000000020000000000000000000000000000000000100000000004000000000000000000000000000000000000020800000000000000000000002000000010002001000001000000000800000100000020000000000000000000000100000000048020000800000000000001000200000000000000000000000000020000000000004000000000200080000000000000000000000000000800000000400000000000020000000000000000001000000000000002000200000000004000000000000000000000040000000000000000000020000100000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���8��������(�������`�������`�������`������ 4��������(�������h��������(�������(�������(������ 4������� 4�������� ����� $�������`�������`�������`�������� �����������������������(��� � (�� ������ � ���������������������B���� �������������� �� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:07:12Z</structure-indexed-at> </compound>