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VALERENIC ACID

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VALERENIC ACID Basic information

Product Name:
VALERENIC ACID
Synonyms:
  • VALERENIC ACID
  • VALERENIC ACID WITH HPLC
  • (E)-3-[(4S)-2,4,5,6,7,7aα-Hexahydro-3,7β-dimethyl-1H-inden-4-yl]-2-methylpropenoic acid
  • (2E)-3-[(4S,7R,7aR)-2,4,5,6,7,7a-Hexadydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propenoic acid
  • 2-Propenoic acid, 3-(2,4,5,6,7,7A-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4alpha(E),7beta,7aalpha))-
  • Valerenic Acid (15 mg)
  • VALERENIC ACID(P)
  • VALERENIC ACID SNAP-N-SHOOT 0.1mg/mL(P)
CAS:
3569-10-6
MF:
C15H22O2
MW:
234.33
EINECS:
203-677-2
Product Categories:
  • Plant Oils, Toxins, Phenolic Acids & Derivatives
  • Natural Plant Extract
  • Organic AcidsAnalytical Standards
  • Alphabetic
  • Chromatography
  • Food&Beverage Standards
  • V
Mol File:
3569-10-6.mol
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VALERENIC ACID Chemical Properties

Melting point:
134-139°C
Boiling point:
374.5±21.0 °C(Predicted)
Density 
1.06±0.1 g/cm3(Predicted)
storage temp. 
−20°C
solubility 
Chloroform (Slightly), Ethanol (Slightly),Methanol (Slightly)
form 
Solid
pka
4.88±0.19(Predicted)
color 
White to Off-White
BRN 
3138020
InChI
InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1
InChIKey
FEBNTWHYQKGEIQ-SUKRRCERSA-N
SMILES
C(O)(=O)/C(/C)=C/[C@@H]1CC[C@@H](C)[C@]2([H])C1=C(C)CC2
LogP
5.188 (est)
CAS DataBase Reference
3569-10-6(CAS DataBase Reference)
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Safety Information

WGK Germany 
3
RTECS 
UD3357700
8-10
HS Code 
2916205000

MSDS

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VALERENIC ACID Usage And Synthesis

Uses

Valerenic Acid, acts as a subtype-selective GABAA receptor agonist in neonatal rat brainstem preparations. It can be used for the synthesis of Valerena-4,7(11)-diene, a highly active sedative.

Definition

ChEBI: A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant.

Biological Activity

Positive allosteric modulator of GABA A receptors that displays preference for receptors containing β 2 or β 3 subunits. Directly activates the receptor and also blocks the channel at high concentrations. Displays a sedative and anxiolytic activity in vivo . Also acts as a partial? agonist of 5-HT 5A receptors.

in vivo

Valerenic acid (1-6 mg/kg i.p. or 10 mg/kg p.o.) decreases the aversion of wild type mice to the lit area[2].
Valerenic acid (10 mg/kg; p.o.) increases the proportion of time 129X1/SvJ mice spent onto the open arms[2].

IC 50

GABAA; 5-HT5A Receptor: 17.2 μM (IC50)

VALERENIC ACID Preparation Products And Raw materials

Preparation Products

VALERENIC ACIDSupplier

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