Compound Summary

General Compound Information

Parthenolide

Description
Parthenolide belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Thus, parthenolide is considered to be an isoprenoid lipid molecule. Parthenolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Parthenolide is a bitter tasting compound found in sweet bay, which makes parthenolide a potential biomarker for the consumption of this food product. Parthenolide is a sesquiterpene lactone of the germacranolide class which occurs naturally in the plant feverfew (Tanacetum parthenium), after which it is named. It is found in highest concentration in the flowers and fruit .
Synonyms
parthenolide;  (-)-Parthenolide;  20554-84-1;  (1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one;  DTXSID2040579;
FlavorDB ID
88
PUBCHEM ID
6473881
Molecular Weight
248.32
Molecular Formula
C15H20O3
Openeye Can Smiles
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
IUPAC Inchikey
KTEXNACQROZXEV-SLXBATTESA-N
Similarity
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Compound Classification
  • ClassyFire Ontology
Compound Quality
Quality information of this compound is not available!
Compound Toxicity and Food Additive Safety (OFAS)
Receptors
Receptor REFERENCE EC50 [µM] Effective Concentration [µM]
TAS2R1 details Activated
TAS2R4 details Activated
TAS2R8 details Activated
TAS2R10 details Activated
TAS2R14 details Activated
TAS2R31 details Activated
TAS2R46 details Activated
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental LCMS view LCMS_Positive positive