Details of Natural Product (NP)

General Information of Natural Product (ID: NP0756)
  Natural Product Name
3-Butylidenephthalide
  Synonyms
n-butylidenephthalide; Butylidenephthalide; 3-Butylidenephthalide; (Z)-Butylidenephthalide; 72917-31-8; 551-08-6; BdPh; 1(3H)-Isobenzofuranone, 3-butylidene-, (3Z)-; Ligusticum lactone; Z-butylidenephthalide; (3Z)-3-butylidene-2-benzofuran-1-one; UNII-6GM611H175; (Z)-3-Butylidenephthalide; 3-Butylideneisobenzofuran-1(3H)-one; (Z)-3-butylideneisobenzofuran-1(3H)-one; CHEMBL249592; (3Z)-3-Butylidene-2-benzofuran-1(3H)-one; CHEBI:68233; 6GM611H175; NSC-325307; Phthalide, 3-butylidene-; e-butylidenephthalide; (E)-Butylidene phthalide; trans-3n-butylidenephthalide; 3-Butylidenephthalide, (E)-; SCHEMBL290482; DTXSID30993698; HY-N0336; ZINC1573356; 9108AF; BDBM50241315; MFCD00047319; NSC325307; s6493; (3Z)-3-butylideneisobenzofuran-1-one; AKOS024286816; AC-34145; BS-49282; CS-0008897; 1(3H)-Isobenzofuranone,3-butylidene-,(3Z)-; A14633; C16924; Q27136726; UNII-2JL3MHX6ZE component WMBOCUXXNSOQHM-FLIBITNWSA-N; UNII-S9178G4B3F component WMBOCUXXNSOQHM-FLIBITNWSA-N; 3-Butylidenephthalide, mixture of cis and trans isomers, >=96%, FG
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  Formula C12H12O2
  Weight 188.22
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
  InChI Key WMBOCUXXNSOQHM-FLIBITNWSA-N
  Isomeric SMILES CCC/C=C\\1/C2=CC=CC=C2C(=O)O1
  Canonical SMILES CCCC=C1C2=CC=CC=C2C(=O)O1
  External Links PubChem ID 642376
CAS ID 72917-31-8
NPASS ID NPC30594
HIT ID C0489
CHEMBL ID CHEMBL249592
  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: 11.3 %
 
Locality: Kashmir, India
 Roots Kashmir, India
NP Content: 2.2 %
References
1 Variability in the Essential Oil of Angelica glauca Edgew of Different Geographical Regions