valerenic acid (Q75850)

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chemical compound
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Language Label Description Also known as
English
valerenic acid
chemical compound

    Statements

    chemical structure
    Valerenic acid.svg
    255 × 358; 11 KB
    0 references
    mass
    234.161979944 dalton
    1 reference
    based on heuristic
    inferred from SMILES
    chemical formula
    C₁₅H₂₂O₂
    0 references
    canonical SMILES
    O=C(O)C(=CC1C2=C(C)CCC2C(C)CC1)C
    0 references
    isomeric SMILES
    C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C(=O)O
    0 references
    found in taxon
    Valeriana officinalis
    17 references
    stated in
    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.
    stated in
    GABA A receptors as in vivo substrate for the anxiolytic action of valerenic acid, a major constituent of valerian root extracts
    stated in
    Composition of the essential oils from underground parts ofValeriana officinalis L.s.l. and several closely related taxa
    stated in
    Packed column SFC/UV versus HPLC/UV analysis of valerenic acids and valepotriates in extracts ofValeriana officinalis L.
    stated in
    The biological activity of Valerian and related plants
    stated in
    In vivo effects of goldenseal, kava kava, black cohosh, and valerian on human cytochrome P450 1A2, 2D6, 2E1, and 3A4/5 phenotypes
    stated in
    Isolation and identification of valerenane sesquiterpenoids from Valeriana officinalis
    stated in
    Cytotoxic potential of valerian constituents and valerian tinctures
    stated in
    Iridoids and sesquiterpenoids from the roots of Valeriana officinalis
    stated in
    (-)-3 beta,4 beta-epoxyvalerenic acid from Valeriana officinalis
    stated in
    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.
    stated in
    HPLC-based activity profiling approach for the discovery of GABAA receptor ligands using an automated two microelectrode voltage clamp assay on Xenopus oocytes
    stated in
    Methyl Valerenate, a New Sesquiterpenoid in the Essential Oil from Underground Parts of Valeriana officinalis L. s.l.
    stated in
    Biomedically relevant chemical constituents of Valeriana officinalis
    stated in
    Essential oil composition of Valeriana officinalis L. roots cultivated in Iran. Comparative analysis between supercritical CO2 extraction and hydrodistillation.
    stated in
    Essential oils from normal and hairy roots of Valeriana officinalis var. sambucifolia
    stated in
    1. Mitteilung über Valeriana. Die Isolierung von Hesperitinsäure, Behensäure und von Zwei Unbekannten Säuren aus Baldrian
    Commons category
    Valerenic acid
    0 references

    Identifiers

    ChemSpider ID
    4788689
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    4788689
    language of work or name
    English
    title
    (2E)-3-(3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylic acid (English)
    retrieved
    21 September 2016
    PubChem CID
    6440940
    0 references
    EC number
    609-163-8
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.112.154
    retrieved
    27 December 2018
    title
    2-Propenoic acid, 3-[(4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)- (English)
    quotation
    CAS no.: 3569-10-6 (English)
    ECHA Substance Infocard ID
    100.112.154
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.112.154
    retrieved
    27 December 2018
    title
    2-Propenoic acid, 3-[(4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)- (English)
    quotation
    CAS no.: 3569-10-6 (English)
    KNApSAcK ID
    C00003197
    0 references
    UNII
    34NDB285PM
    0 references
    KEGG ID
    C09743
    0 references
     
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