Details of Natural Product (NP)

General Information of Natural Product (ID: NP1099)
  Natural Product Name
Geranyl Isobutyrate
  Synonyms
Geranyl isobutyrate; 2345-26-8; Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester; UNII-P6D2F72907; [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate; (E)-3,7-Dimethylocta-2,6-dien-1-yl isobutyrate; P6D2F72907; 3,7-Dimethyl-2,6-octadienyl isobutyrate, (E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, isobutyrate, trans-; 3,7-Dimethyl-2,6-octadienyl isobutyrate; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, trans-; Geranyl isobutyrate (natural); FEMA No. 2513; EINECS 219-062-7; AI3-32667; 3,7-Dimethyl-2,6-octadien-1-yl isobutyrate, trans-; NERYLISOBUTYRATE; 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, (E)-; 3,7-Dimethyl-2,6-octadien-1-yl 2-methylpropanoate, trans-; Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E); SCHEMBL397326; SCHEMBL397327; DTXSID8051889; CHEBI:145741; geranyl isobutyrate, No Antioxidant; (2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL 2-METHYLPROPANOATE; CAA34526; ZINC1850861; AKOS015837557; PROPIONIC ACID, 2-METHYL-, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (E); LS-14344; 3,7-dimethyl-2,6-octadien-1-yl isobutyrate; 345G268; A878237; Q27286284; (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ISOBUTYRATE
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  Formula C14H24O2
  Weight 224.34
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
  InChI Key OGJYXQFXLSCKTP-UKTHLTGXSA-N
  Isomeric SMILES CC(C)C(=O)OC/C=C(\\C)/CCC=C(C)C
  Canonical SMILES CC(C)C(=O)OCC=C(C)CCC=C(C)C
  External Links PubChem ID 6086514
CAS ID 2345-26-8

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Artemisia absinthium
  Factor Name: Chemotype Comparison [1]
              Species Info Factor Info
               Experiment Detail
Ten different plants of wormwood were collected in March 1997 from each one of the following four wild populations in the Spanish Pyrenees: Tallo de Aulet (prov. Huesca) and Pont de Suert, Sort and Farga de Moles (prov. Lleida). In three of the four populations studied, there was another chemotype, with 25-65% of cis-epoxyocimene and 15-50% of chrysanthenyl acetate. This chemotype, called chemotype B, was less frequent in the Pyrenees than the chemotype A, appearing only in 17% of the samples (two samples in TallO de Aulet and in Pont de Suert and three samples in Farga de Moles).
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               Factor Function
Two chemotypes were detected; a cis-epoxyocimene type (with more than 50% of this compound) which was predominant in all the populations, and a cis-epoxyocimene + chrysanthenyl acetate type (with 25-65% of cis-epoxyocimene and 15-50% of chrysanthenyl acetate). The distribution of these chemotypes had no relation with the altitude of the samples.
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               Factor Part Location NP Content
 
Chemotype (cis-epoxyocimene type)
 Leaves Spain
NP Content: 0.14 %
 
Chemotype (cis-epoxyocimene + chrysanthenyl acetate type)
 Leaves Spain
NP Content: 0.14 %
References
1 Essential Oil of Artemisia absinthium L. from the Spanish Pyrenees