Cas no 550-37-8 (Ligusticumic acid)

Ligusticumic acid is a bioactive phytochemical compound primarily derived from Ligusticum species, such as Ligusticum chuanxiong. It is a key marker constituent known for its potential pharmacological properties, including anti-inflammatory, antioxidant, and neuroprotective effects. Structurally classified as a phthalide derivative, ligusticumic acid exhibits notable stability and bioavailability, making it suitable for research in cardiovascular and cerebrovascular applications. Its mechanism of action involves modulation of signaling pathways related to oxidative stress and inflammation. The compound is commonly utilized in standardized herbal extracts and pharmacological studies due to its well-characterized purity and consistent biological activity. Analytical methods such as HPLC and LC-MS are employed for precise quantification.
Ligusticumic acid structure
Ligusticumic acid structure
Product Name:Ligusticumic acid
CAS No:550-37-8
MF:C12H14O3
MW:206.237763881683
CID:375568
PubChem ID:5315165
Update Time:2025-11-07

Ligusticumic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-(1-oxopentyl)-
    • 2-PENTANOYLBENZOIC ACID
    • 2-Valeryl-benzoesaeure
    • 2-valeryl-benzoic acid
    • 2-Valerylbenzoic acid
    • AC1NSSRL
    • AG-F-92136
    • CTK5A2942
    • Ligusticumic acid
    • Ligusticumsaeure
    • n-valerophenone-o-carboxylic acid
    • o-Valerylbenzoic acid
    • SureCN4932617
    • 2-PENTANOYLBENZOICACID
    • SCHEMBL4932617
    • 2-(alpha-n-pentanonyl)benzoic acid
    • Benzoic acid, o-valeryl-
    • DTXSID50415685
    • FT-0725570
    • 550-37-8
    • Benzoic acid, 2-(1-oxopentyl)-
    • Inchi： 1S/C12H14O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)
    • InChI Key： SWAMOIJQDQZLRX-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC=CC=1C(=O)O)CCCC

Computed Properties

  • Exact Mass: 206.09432
  • Monoisotopic Mass: 206.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 235
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • PSA: 54.37

Ligusticumic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
L276310-1mg
Ligusticumic acid
 550-37-8
1mg
 $190.00 2023-05-18
TRC
L276310-10mg
Ligusticumic acid
 550-37-8
10mg
 $1499.00 2023-05-18

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