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Chemical substance record

Parthenolide

20554-84-1C15H20O3248.322 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A sesquiterpene lactone and active principle of Feverfew (Tanacetum parthenium). — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number20554-84-1ChEBI ↗
Molecular formulaC15H20O3ChEBI ↗
Molar mass248.322 g/molChEBI ↗
Monoisotopic mass248.14124 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:7939ChEBI ↗

Cross-source molecular data

PubChem
Molar mass248.32 g/molPubChem ↗
Exact mass248.14124450 DaPubChem ↗
Computed XLogP2.3PubChem ↗
Topological polar surface area (Ų)38.8PubChem ↗
H-bond donors0PubChem ↗
H-bond acceptors3PubChem ↗
Rotatable bonds0PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
parthenolide
(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
KTEXNACQROZXEV-PVLRGYAZSA-N
[H][C@]12O[C@]1(C)CC/C=C(C)CC[C@@]1([H])C(=C)C(=O)O[C@]21[H]
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

Names & synonyms

(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
sesquiterpene lactoneChEBI parent class · 37667 ↗
esterlipidorganic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

inhibitornon-steroidal anti-inflammatory drugnon-narcotic analgesicperipheral nervous system drugdrug allergen

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00402703 mol

Uses 248.322 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 15 atoms
72.55%
O
Oxygen · 3 atoms
19.33%
H
Hydrogen · 20 atoms
8.12%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Inhibition of interleukin-12 production in lipopolysaccharide-activated mouse macrophages by parthenolide, a predominant sesquiterpene lactone in Tanacetum parthenium: involvement of nuclear factor-kappaB. ↗Immunology letters · 2001 Jul 2 · PMID 11410248
Sesquiterpene lactone parthenolide, an inhibitor of IkappaB kinase complex and nuclear factor-kappaB, exerts beneficial effects in myocardial reperfusion injury. ↗Shock (Augusta, Ga.) · 2002 Feb · PMID 11837788
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:7939

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 7251185 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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