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Parthenolide

CAT: 1410-M13194-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M13194-01Size:50 mg
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Description
(-) -Parthenolide is a sesquiterpene lactone which occurs naturally in the plant feverfew (Tanacetum parthenium) and also promotes the ubiquitination of MDM2 and activates p53 cellular functions.
CAS Number
20554-84-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
248.32
Molecular Formula
C15H20O3
Notes
Research use only, not for human use.
Receptor
NF-κB

Chemical Information

Parthenolide

(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 is a germacranolide.

CAS Number20554-84-1
PubChem CID6473881
IUPAC Name(1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP2.3
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity437
SMILES
C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
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
InChIKey
KTEXNACQROZXEV-SLXBATTESA-N
Chemical Structure
2D Structure
2D structure of Parthenolide
CAS: 20554-84-1
CID: 6473881
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area38.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes