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Kavain

CAT: 0013-GTR19158024-03Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158024-03Size:500 mg
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Description
Kavain a compound extracted from the Kava plant Piper methysticum is found to be involved in TNF-α expression in human and mouse cells via regulation of transcriptional factors such as NF-kB and LITAF.
CAS Number
3155-48-4
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (217.15 mM)
Smiles
COC1=CC (=O) OC (C1) \C=C\c1ccccc1
Molecular Formula
C14H14O3
Molecular Weight
230.26
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(E) -4-methoxy-6-styryl-56-dihydro-2H-pyran-2-one

Chemical Information

Kawain, (+-)-

DL-kavain is https://www.chemicalbook.com/ProductChemicalPropertiesCB9738874_EN.htm. It has a role as a glycine receptor antagonist.

CAS Number3155-48-4
PubChem CID5369129
IUPAC Name4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
Molecular FormulaC14H14O3
Molecular Weight230.26
XLogP2.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity324
SMILES
COC1=CC(=O)OC(C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+
InChIKey
XEAQIWGXBXCYFX-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of Kawain, (+-)-
CAS: 3155-48-4
CID: 5369129
Formula: C14H14O3
MW: 230.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.26
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass230.094294304
Monoisotopic Mass230.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6667-100Kavain
T4590-01(+) -Kavain
BML-NA136-0050Kavain (+/-)
sc-234817ADL-Kavain
HY-B1671R(+) -Kavain (Standard)
371627Kavain discontinued
166263Rac-Kavain
HY-N2096R-01Kavain (Standard)

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