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valerenic acid
2-propenoic acid, 3-[(4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-

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Name:(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
CAS Number: 3569-10-6Picture of molecule3D/inchi
FDA UNII: 34NDB285PM
Nikkaji Web:J14.796F
Beilstein Number:3138020
MDL:MFCD00075694
XlogP3-AA:3.20 (est)
Molecular Weight:234.33874000
Formula:C15 H22 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:yellow to brown powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 374.00 to 375.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000001 mmHg @ 25.00 °C. (est)
Flash Point: 525.00 °F. TCC ( 273.89 °C. )
logP (o/w): 5.188 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, slightly
 water, 3.284 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Valerenic acid >99%
ExtraSynthese
For experimental / research use only.
Valerenic Acid (HPLC) ≥99%
Santa Cruz Biotechnology
For experimental / research use only.
Valerenic Acid ≥98%
Sigma-Aldrich
For experimental / research use only.
Valerenic acid
analytical standard
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
S 24/25 - Avoid contact with skin and eyes.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for valerenic acid usage levels up to:
 not for fragrance use.
 
Recommendation for valerenic acid flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6440940
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
Chemidplus:0003569106
 
References:
 (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6440940
Pubchem (sid):135115560
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C09743
HMDB (The Human Metabolome Database):HMDB30016
FooDB:FDB001309
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 valerian
Search Trop Picture
 valerian root oil @ 0.3-2.8%
Data GC Search Trop Picture
 
Synonyms:
(2E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylacrylic acid
(2E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic 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
(4S-(4alpha(E),7beta,7aalpha))-3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-2-propenoic acid
2-propenoic acid, 3-[(4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-
 valerenicacid
 valerinic acid
 

Articles:

PubMed:Esters of valerenic acid as potential prodrugs.
PubMed:Revised structures of nardal and nardin: identity with valerenal and valerenic acid.
PubMed:Valeriana officinalis extract and its main component, valerenic acid, ameliorate D-galactose-induced reductions in memory, cell proliferation, and neuroblast differentiation by reducing corticosterone levels and lipid peroxidation.
PubMed:Antioxidant effect and study of bioactive components of Valeriana sisymbriifolia and Nardostachys jatamansii in comparison to Valeriana officinalis.
PubMed:Functional identification of valerena-1,10-diene synthase, a terpene synthase catalyzing a unique chemical cascade in the biosynthesis of biologically active sesquiterpenes in Valeriana officinalis.
PubMed:Valerian extract characterized by high valerenic acid and low acetoxy valerenic acid contents demonstrates anxiolytic activity.
PubMed:Anxiolytic properties of Valeriana officinalis in the zebrafish: a possible role for metabotropic glutamate receptors.
PubMed:Enzymatic synthesis of valerena-4,7(11)-diene by a unique sesquiterpene synthase from the valerian plant (Valeriana officinalis).
PubMed:Pharmacokinetics of valerenic acid in rats after intravenous and oral administrations.
PubMed:Efficient and scalable one-pot synthesis of 2,4-dienols from cycloalkenones: optimized total synthesis of valerenic acid.
PubMed:Three phases hollow fiber LPME combined with HPLC-UV for extraction, preconcentration and determination of valerenic acid in Valeriana officinalis.
PubMed:Selective Interactions of Valeriana officinalis Extracts and Valerenic Acid with [H]Glutamate Binding to Rat Synaptic Membranes.
PubMed:Telemetry as a tool to measure sedative effects of a valerian root extract and its single constituents in mice.
PubMed:Pharmacokinetics of valerenic acid after single and multiple doses of valerian in older women.
PubMed:Concise synthesis of Valerena-4,7(11)-diene, a highly active sedative, from valerenic acid.
PubMed:Valerenic acid derivatives as novel subunit-selective GABAA receptor ligands - in vitro and in vivo characterization.
PubMed:Highly potent modulation of GABA(A) receptors by valerenic acid derivatives.
PubMed:Valeriana officinalis root extracts have potent anxiolytic effects in laboratory rats.
PubMed:Root colonization by symbiotic arbuscular mycorrhizal fungi increases sesquiterpenic acid concentrations in Valeriana officinalis L.
PubMed:Relaxing effects of Valeriana officinalis extracts on isolated human non-pregnant uterine muscle.
PubMed:Total synthesis of valerenic acid, a potent GABAA receptor modulator.
PubMed:Hepatic metabolism and biliary excretion of valerenic acid in isolated perfused rat livers: role of Mrp2 (Abcc2).
PubMed:Transport of a GABAA receptor modulator and its derivatives from Valeriana officinalis L. s. l. across an in vitro cell culture model of the blood-brain barrier.
PubMed:GABA A receptors as in vivo substrate for the anxiolytic action of valerenic acid, a major constituent of valerian root extracts.
PubMed:HPLC-based activity profiling approach for the discovery of GABAA receptor ligands using an automated two microelectrode voltage clamp assay on Xenopus oocytes.
PubMed:[Studies on chemical constituents of Valeriana officinalis].
PubMed:Essential oil composition of Valeriana officinalis L. roots cultivated in Iran. Comparative analysis between supercritical CO2 extraction and hydrodistillation.
PubMed:Modulation of GABAA receptors by valerian extracts is related to the content of valerenic acid.
PubMed:[GC-MS analysis of volatile constituents from five different kinds of Chinese eaglewood].
PubMed:Valerenic acid potentiates and inhibits GABA(A) receptors: molecular mechanism and subunit specificity.
PubMed:Effect of valerian, valerian/hops extracts, and valerenic acid on glucuronidation in vitro.
PubMed:NF-kappaB modulators from Valeriana officinalis.
PubMed:Commercial valerian interactions with [3H]Flunitrazepam and [3H]MK-801 binding to rat synaptic membranes.
PubMed:Chemical fingerprinting of valeriana species: simultaneous determination of valerenic acids, flavonoids, and phenylpropanoids using liquid chromatography with ultraviolet detection.
PubMed:Pharmacokinetics of valerenic acid after administration of valerian in healthy subjects.
PubMed:Valerian extract and valerenic acid are partial agonists of the 5-HT5a receptor in vitro.
PubMed:Extraction of valerenic acids from valerian (Valeriana officinalis L.) rhizomes.
PubMed:In vitro activity of commercial valerian root extracts against human cytochrome P450 3A4.
PubMed:Multiple night-time doses of valerian (Valeriana officinalis) had minimal effects on CYP3A4 activity and no effect on CYP2D6 activity in healthy volunteers.
PubMed:Stability control of valerian ground material and extracts: a new HPLC-method for the routine quantification of valerenic acids and lignans.
PubMed:Essential oil of Valeriana officinalis L. cultivars and their antimicrobial activity as influenced by harvesting time under commercial organic cultivation.
PubMed:Sedative and sleep-enhancing properties of linarin, a flavonoid-isolated from Valeriana officinalis.
PubMed:The gamma-aminobutyric acidergic effects of valerian and valerenic acid on rat brainstem neuronal activity.
PubMed:In vitro release of valerenic and hydroxyvalerenic acids from valerian tablets.
PubMed:(-)-3 beta,4 beta-epoxyvalerenic acid from Valeriana officinalis.
PubMed:Valepotriates and valerenic acids in commercial preparations of valerian available in Australia.
PubMed:Analysis of sesquiterpenes in Valeriana officinalis by capillary electrophoresis.
PubMed:Polysomnographic evaluation of the hypnotic effect of Valeriana edulis standardized extract in patients suffering from insomnia.
PubMed:Valerenic acid derivatives and valepotriates among individuals, varieties and species of Valeriana.
PubMed:The scientific basis for the reputed activity of Valerian.
PubMed:Cytotoxic potential of valerian constituents and valerian tinctures.
PubMed:Seasonal variation of the essential oil, valerenic acid and derivatives, and velopotriates in Valeriana officinalis roots and rhizomes, and the selection of plants suitable for phytomedicines.
PubMed:In vitro study on the interaction of Valeriana officinalis L. extracts and their amino acids on GABAA receptor in rat brain.
PubMed:Central nervous depressant activity of valerenic Acid in the mouse.
PubMed:Central nervous depressant activity of valerenic acid in the mouse.
PubMed:[Inhibition of gamma-aminobutyric acid catabolism by valerenic acid derivatives].
 
Notes:
a saturated oplopanone type indene from valeriana officinalis. Constit. of Valeriana officinalis (valerian) Valerenic acid is a sesquiterpenoid constituent of the essential oil of the Valerian plant.
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