| Identification | More | [Name]
VALERENIC ACID | [CAS]
3569-10-6 | [Synonyms]
VALERENIC ACID
VALERENIC ACID SNAP-N-SHOOT 0.1mg/mL(P)
VALERENIC ACID(AHP)
VALERENIC ACID WITH HPLC
(E)-3-[(4S)-2,4,5,6,7,7aα-Hexahydro-3,7β-dimethyl-1H-inden-4-yl]-2-methylpropenoic acid | [EINECS(EC#)]
203-677-2 | [Molecular Formula]
C15H22O2 | [MDL Number]
MFCD00075694 | [Molecular Weight]
234.33 | [MOL File]
3569-10-6.mol |
| Chemical Properties | Back Directory | [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 ]
neat | [pka]
4.88±0.19(Predicted) | [color ]
White to Off-White | [BRN ]
3138020 | [Major Application]
cleaning products
cosmetics
food and beverages
personal care | [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) |
| Hazard Information | Back Directory | [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) | [storage]
Store at -20°C |
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