Details of Natural Product (NP)

General Information of Natural Product (ID: NP0757)
  Natural Product Name
Ligustilide
  Synonyms
Ligustilide; 4431-01-0; Ligustilide A; (Z)-Ligustilide; 81944-09-4; (Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one; Z-ligustilide; 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)-; 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-; (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one; cis-ligustilide; UNII-10HE68JD06; CHEMBL481246; CHEBI:68232; 10HE68JD06; trans-ligustilide; 3-butylidene-4,5-dihydrophthalide; Ligusticide; Ligustilide, (E)-; Spectrum5_000551; (3Z)-3-butylidene-4,5-dihydroisobenzofuran-1-one; cis-Ligustilidecis-Ligustilide; SCHEMBL11967666; Ligustilide, >=98% (HPLC); BCP09458; HY-N0401; ZINC2386261; BDBM50441016; MFCD01861511; s9385; AKOS006276856; AC-8049; CCG-266505; CS-5299; AS-15334; O904; L-170; C16987; 3-Butyliden-4,5-dihydro-3H-isobenzofuran-1-one; 431L010; A826540; Q-100482; (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one.; Q27136725; 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (Z)-; (1E)-2-(4-Chlorophenyl)-3-(4-morpholinyl)-N-[(Z)-4-pyridinylmethylidene]-3-thioxo-1-propen-1-amine; 3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone;1(3H)-Isobenzofuranone,3-butylidene-4,5-dihydro-;(3Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
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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-FLIBITNWSA-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 5319022
CAS ID 4431-01-0
NPASS ID NPC133600
HIT ID C0186
CHEMBL ID CHEMBL481246
  NP Activity Charts   Click to show/hide
  Activity Info  

 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: 20.4 %
 
Locality: Kashmir, India
 Roots Kashmir, India
NP Content: 14.4 %
References
1 Variability in the Essential Oil of Angelica glauca Edgew of Different Geographical Regions