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Khellin (Standard)

CAT: 0804-HY-B1394R-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1394R-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Khellin (Standard) is the analytical standard of Khellin. This product is intended for research and analytical applications. Khellin is a furochromone that can be isolated from Ammi visnuga L.. Khellin is an EGFR inhibitor with an IC50 of 0.15 μM. Khelline has anti-proliferative activity in vitro. Khellin has antispasmodic and coronary vasodilator effects[1][2].
CAS Number
82-02-0
UNSPSC
12352005
Target
EGFR; Reference Standards
Type
Reference Standards
Related Pathways
JAK/STAT Signaling; Others; Protein Tyrosine Kinase/RTK
Field of Research
Cancer; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/khellin-standard.html
Smiles
O=C1C=C(C)OC2=C(OC)C(OC=C3)=C3C(OC)=C12
Molecular Formula
C14H12O5
Molecular Weight
260.24
References & Citations
[1]Abdel-Sattar S Hamad Elgazwy, et al. Molecular modeling study bioactive natural product of khellin analogues as a novel potential pharmacophore of EGFR inhibitors. J Enzyme Inhib Med Chem. 2013 Dec;28 (6) :1171-81.|[2]A Ubeda, et al. Relaxant actions of khellin on vascular smooth muscle. J Pharm Pharmacol . 1989 Apr;41 (4) :236-41.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Khellin

Khellin is a furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator. It has a role as a bronchodilator agent, a cardiovascular drug, a vasodilator agent and an anti-asthmatic agent. It is a furanochromone, an organic heterotricyclic compound and an oxacycle. It is functionally related to a 5H-furo[3,2-g]chromen-5-one.

CAS Number82-02-0
PubChem CID3828
IUPAC Name4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
Molecular FormulaC14H12O5
Molecular Weight260.24
XLogP2.3
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity405
SMILES
CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC
InChI
InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3
InChIKey
HSMPDPBYAYSOBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Khellin
CAS: 82-02-0
CID: 3828
Formula: C14H12O5
MW: 260.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.24
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass260.06847348
Monoisotopic Mass260.06847348
Topological Polar Surface Area57.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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