Details of Natural Product (NP)

General Information of Natural Product (ID: NP0755)
  Natural Product Name
(E)-Ligustilide
  Synonyms
(E)-Ligustilide; Z-ligustilide; cis-ligustilide; (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one; trans-ligustilide; SCHEMBL4087024; ZINC13380510; AKOS032948223; (e)-3-butylidene-4,5-dihydrophthalide; trans-3-Butylidene-4,5-dihydrophthalide; 3-Butylidene-4,5-dihydrophthalide, 8CI; N1901; 3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone, 9CI; (3E)-3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one; 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3E)-; 81944-08-3
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  Formula C12H14O2
  Weight 190.24
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8+
  InChI Key IQVQXVFMNOFTMU-DHZHZOJOSA-N
  Isomeric SMILES CCC/C=C/1\\C2=C(C=CCC2)C(=O)O1
  Canonical SMILES CCCC=C1C2=C(C=CCC2)C(=O)O1
  External Links PubChem ID 5877292
CAS ID 81944-08-3

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Angelica glauca
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Angelica glauca roots were collected from Himachal Pradesh and Kashmir at various locations during the year 1999-2000.
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               Factor Function
Terpene hydrocarbons (methyl octene, limonene, beta-phellendrene, beta-pinene), phthalides [(Z)-3-butyli-dene phthalide (Z)- and (E)-ligustilide] and citronellyl acetate showed large quantitative variations of different geographical locations.
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               Factor Part Location NP Content
 
Locality: Himachal Pradesh, India
 Roots Himachal Pradesh, India
NP Content: 0.5 %
 
Locality: Kashmir, India
 Roots Kashmir, India
NP Content: 0.4 %
References
1 Variability in the Essential Oil of Angelica glauca Edgew of Different Geographical Regions