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valerenic acid (Q75850)

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chemical compound
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    English
    valerenic acid
    chemical compound

      Statements

      chemical structure
      Valerenic acid.svg
      255 × 358; 11 KB
      0 references
      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 Valepotriates inValeriana officinalisRoots 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
      mass
      234.161979944 dalton
      1 reference
      based on heuristic
      inferred from SMILES
      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
      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
      KEGG ID
      C09743
      0 references
       
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