1.0 2016-05-22 04:27:33 UTC 2026-05-14 19:29:26 UTC Parthenolide SmallMolecule 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. PFAS Phytotoxin C15H20O3 248.322 248.141244504 (1S,2S,4R,7Z,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-13-one parthenolide 20554-84-1 [H]\C1=C(C)\CC[C@@]2([H])C(=C)C(=O)O[C@]2([H])[C@]2([H])O[C@]2(C)CC1 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 KTEXNACQROZXEV-QLIGOWBFSA-N Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Germacranolides and derivatives Carbonyl compounds Dialkyl ethers Enoate esters Epoxides Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Enoate ester Ether Gamma butyrolactone Germacrane sesquiterpenoid Germacranolide Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Sesquiterpenoid Tetrahydrofuran Aliphatic heteropolycyclic compounds Detected and Not Quantified Parthenolide Drug Metabolism Action Pathway SMP0144910 logp 3.07 logp 3.03 ALOGPS logs -3.10 ALOGPS solubility 1.96e-01 g/l ALOGPS logp 3.07 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (1S,2S,4R,7Z,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-13-one ChemAxon average_mass 248.322 ChemAxon mono_mass 248.141244504 ChemAxon 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 ChemAxon formula C15H20O3 ChemAxon 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 ChemAxon inchikey KTEXNACQROZXEV-QLIGOWBFSA-N ChemAxon polar_surface_area 38.83 ChemAxon refractivity 68.55 ChemAxon polarizability 27.03 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf09d1e20> DB13063 5420805 4976071 BE0001154 BE0001086 BE0002387 BE0005551 BE0010782 BE0013795