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Capsiate

Capsiate structure

CAS No:
205687-01-0
Formula:
C18H26O4
Chemical Name:
Capsiate
Synonyms:
6-Nonenoic acid,8-methyl-,(4-hydroxy-3-methoxyphenyl)methyl ester,(6E)-;6-Nonenoic acid,8-methyl-,(4-hydroxy-3-methoxyphenyl)methyl ester,(E)-;Capsiate;Capsiate Natura
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

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 plant metabolite, a hypoglycemic agent, an anti-allergic agent, an antioxidant, an angiogenesis inhibitor, an anti-inflammatory agent and a capsaicin receptor agonist. It is a carboxylic ester, a monomethoxybenzene and a member of phenols. It derives from a vanillyl alcohol.

Capsiate Basic Attributes

Molecular Weight：

306.4

Exact Mass：

306.18310931

UNII：

PX8I7HG5I3

DSSTox ID：

DTXSID20174575

Characteristics

XLogP3：

4.515 (est)

Boiling Point：

421.27°C.@760.00mmHg(est)

Water Solubility：

0.5314 mg/L @ 25 °C (est)

Drug Information

MeSH Entry Terms：

capsiate

Computed Properties

Molecular Weight:306.4
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:306.18310931
Monoisotopic Mass:306.18310931
Topological Polar Surface Area:55.8
Heavy Atom Count:22
Complexity:338
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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