Details of Natural Product (NP)

General Information of Natural Product (ID: NP0754)
  Natural Product Name
1(3H)-Isobenzofuranone, 3-Butylidene-
  Synonyms
1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-; 3-Butylidenephthalide; Butylidenephthalide; 3-Butylidene-1(3H)-isobenzofuranone; 551-08-6; Ligusticum lactone; (3E)-3-butylidene-2-benzofuran-1-one; Butylidene phthalide; (E)-3-Butylidenephthalide; 3-Butylidene phthalide; CHEMBL1765390; Phthalide, 3-butylidene-; 76681-73-7; (Z)-3-Butylidenephthalide; n-Butylidene phthalide; FEMA No. 3333; EINECS 208-991-3; NSC 325307; Lingustilide; AI3-37306; 3-Butylidene-phthalide; UNII-2JL3MHX6ZE; 2JL3MHX6ZE; 3-Butylidenephthalide, 8CI; 1(3H)-Isobenzofuranone, 3-butylidene-, (3E)-; 3-Butylidenephthalide, (Z)-; SCHEMBL290483; SCHEMBL783051; DTXSID9060281; FEMA 3333; ZINC1850029; BDBM50341204; (3E)-3-butylideneisobenzofuran-1-one; AKOS032948974; N2583; Y0142; 1(3H)-Isobenzofuranone,3-butylidene-,(3E)-; (3E)-3-butylidene-1,3-dihydro-2-benzofuran-1-one; Q27890207; UNII-2JL3MHX6ZE component WMBOCUXXNSOQHM-DHZHZOJOSA-N; UNII-S9178G4B3F component WMBOCUXXNSOQHM-DHZHZOJOSA-N
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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-DHZHZOJOSA-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 5352899
CAS ID 551-08-6
NPASS ID NPC37622
CHEMBL ID CHEMBL1765390
  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: 0.4 %
 
Locality: Kashmir, India
 Roots Kashmir, India
NP Content: trace %
References
1 Variability in the Essential Oil of Angelica glauca Edgew of Different Geographical Regions