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Isohelenin

CAT: 0013-GTR19171598-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171598-01Size:5 mg
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Description
Isoalantolactone (Isohelenin) is a natural sesquiterpene lactone derived from Inula species. It exhibits growth-inhibitory activity against various cancer cell lines in vitro and has shown anti-inflammatory and antitumor effects in preclinical in vivo studies.
CAS Number
470-17-7
Product Name Alternative
Isoalantolactone
Field of Research
Cell Biology
Purity
>98%
Bioactivity
NFkB inhibitor
Form
Powder
Solubility
Soluble in DMSO (50 mg/ml) ; or Ethanol (30 mg/ml)
Smiles
C[C@]12CCCC (=C) [C@@H]1C[C@H]1[C@@H] (C2) OC (=O) C1=C
Molecular Formula
C15H20O2
Molecular Weight
232.3
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
(3aR,8aR,9aR) -8a-methyl-3,5-dimethylenedecahydronaphtho[2,3-b]furan-2 (3H) -one

Chemical Information

(+)-Isoalantolactone

Isoalantolactone is a sesquiterpene lactone of the eudesmanolide group. It has been isolated from Inula helenium. It has a role as an antifungal agent, an apoptosis inducer and a plant metabolite. It is a sesquiterpene lactone and a eudesmane sesquiterpenoid.

CAS Number470-17-7
PubChem CID73285
IUPAC Name(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Molecular FormulaC15H20O2
Molecular Weight232.32
XLogP3.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity409
SMILES
C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C
InChI
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1
InChIKey
CVUANYCQTOGILD-QVHKTLOISA-N
Chemical Structure
2D Structure
2D structure of (+)-Isoalantolactone
CAS: 470-17-7
CID: 73285
Formula: C15H20O2
MW: 232.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.32
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass232.146329876
Monoisotopic Mass232.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
bs-83116C-01Isohelenin
T131572-01Isoalantolactone/Isohelenin
sc-221769Isohelenin, Inula sp.
TBI5393-25MGIsohelenin, NFkB inhibitor

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