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Capsiate

CAT: 1407-AB2086Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1407-AB2086Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
205687-01-0
Purity
98% (HPLC)
Molecular Formula
C18H26O4
Molecular Weight
306.4

Chemical Information

Capsiate

Capsiate is a carboxylic ester obtained by formal condensation of the carboxy group of (6E)-8-methylnon-6-enoic acid with the benzylic hydroxy group of vanillyl alcohol. A non-pungent analogue of capsaicin with a similar biological profile. It has a role as a capsaicin receptor agonist, an antioxidant, a hypoglycemic agent, an angiogenesis inhibitor, an anti-allergic agent, an anti-inflammatory agent and a plant metabolite. It is a monomethoxybenzene, a carboxylic ester and a member of phenols. It is functionally related to a vanillyl alcohol.

CAS Number205687-01-0
PubChem CID9839519
IUPAC Name(4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate
Molecular FormulaC18H26O4
Molecular Weight306.4
XLogP4.2
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count22
Formal Charge0
Complexity338
SMILES
CC(C)/C=C/CCCCC(=O)OCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C18H26O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h6,8,10-12,14,19H,4-5,7,9,13H2,1-3H3/b8-6+
InChIKey
ZICNYIDDNJYKCP-SOFGYWHQSA-N
Chemical Structure
2D Structure
2D structure of Capsiate
CAS: 205687-01-0
CID: 9839519
Formula: C18H26O4
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass306.18310931
Monoisotopic Mass306.18310931
Topological Polar Surface Area55.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FC45605-01Capsiate

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