Details of Natural Product (NP)

General Information of Natural Product (ID: NP1098)
  Natural Product Name
Geranyl 2-Methylbutyrate
  Synonyms
Geranyl 2-methylbutyrate; 68705-63-5; [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate; Butanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester; (2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL 2-METHYLBUTANOATE; Geranyl methylethylacetate; (E)-3,7-Dimethylocta-2,6-dienyl 2-methylbutyrate; EINECS 272-100-4; Geranyl methyl-acetae; geranyl 2-methyl butyrate; Geranyl-2-methyl butyrate; GERANYLMETHYLETHYLACETATE; SCHEMBL3504611; SCHEMBL6797007; DTXSID50887489; GERANYL METHYL-ETHYL-ACETATE; Butanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester; Butanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-; LMFA07010894; Q27284204; 2-Methylbutanoic acid 3,7-dimethyl-2,6-octadienyl ester
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  Formula C15H26O2
  Weight 238.37
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
  InChI Key PEQMAZJTEUEQJP-JLHYYAGUSA-N
  Isomeric SMILES CCC(C)C(=O)OC/C=C(\\C)/CCC=C(C)C
  Canonical SMILES CCC(C)C(=O)OCC=C(C)CCC=C(C)C
  External Links PubChem ID 6437648
CAS ID 68705-63-5

 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: <0.03 %
 
Chemotype (cis-epoxyocimene + chrysanthenyl acetate type)
 Leaves Spain
NP Content: 0.11 %
      Species Name: Myrtus communis var. italica
  Factor Name: Month Variation [2]
              Species Info Factor Info
               Experiment Detail
Myrtle (M. communis var. italica) aerial parts were collected monthly during 2006-2007 from Jbal Stara of Haouaria region in North Tunisia, belonging to a subhumid bioclimate.
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               Factor Function
In conclusion, high fluctuations were observed in the oil yields and composition of different parts of Myrtus communis var. italica during all the collecting periods. They could be explained by genetic and environmental factors. Moreover, significant differences were revealed in the main oil compounds. alpha-Pinene percentages showed the most remarkable changes among the different part oils. So, leaf oils contained more alpha-pinene than those of the fruits and stems during the myrtle vegetative cycle.
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               Factor Part Location NP Content
 
Leaf: (Harvesting time: January)
 Leaves Tunisia
NP Content: 0.2 %
 
Leaf: (Harvesting time: February)
 Leaves Tunisia
NP Content: 0.1 %
 
Leaf: (Harvesting time: March)
 Leaves Tunisia
NP Content: 0.1 %
 
Leaf: (Harvesting time: April)
 Leaves Tunisia
NP Content: 0.3 %
 
Leaf: (Harvesting time: May)
 Leaves Tunisia
NP Content: 0.1 %
 
Leaf: (Harvesting time: June)
 Leaves Tunisia
NP Content: 0.1 %
 
Leaf: (Harvesting time: July)
 Leaves Tunisia
NP Content: 0.1 %
 
Leaf: (Harvesting time: August)
 Leaves Tunisia
NP Content: 0.1 %
 
Leaf: (Harvesting time: September)
 Leaves Tunisia
NP Content: 0.1 %
 
Leaf: (Harvesting time: October)
 Leaves Tunisia
NP Content: 0.1 %
 
Leaf: (Harvesting time: November)
 Leaves Tunisia
NP Content: 0.2 %
 
Leaf: (Harvesting time: December)
 Leaves Tunisia
NP Content: 0.1 %
 
Fruit: (Harvesting time: January)
 Fruits Tunisia
NP Content: 4.6 %
 
Fruit: (Harvesting time: August)
 Fruits Tunisia
NP Content: 3.7 %
 
Fruit: (Harvesting time: September)
 Fruits Tunisia
NP Content: 1.7 %
 
Fruit: (Harvesting time: October)
 Fruits Tunisia
NP Content: 3.9 %
 
Fruit: (Harvesting time: November)
 Fruits Tunisia
NP Content: 4.4 %
 
Fruit: (Harvesting time: December)
 Fruits Tunisia
NP Content: 8.2 %
 
Stem: (Harvesting time: January)
 Stems Tunisia
NP Content: 5 %
 
Stem: (Harvesting time: February)
 Stems Tunisia
NP Content: 1.9 %
 
Stem: (Harvesting time: March)
 Stems Tunisia
NP Content: 1.8 %
 
Stem: (Harvesting time: April)
 Stems Tunisia
NP Content: 2.9 %
 
Stem: (Harvesting time: May)
 Stems Tunisia
NP Content: 2.4 %
 
Stem: (Harvesting time: June)
 Stems Tunisia
NP Content: 1.5 %
 
Stem: (Harvesting time: July)
 Stems Tunisia
NP Content: 1.6 %
 
Stem: (Harvesting time: August)
 Stems Tunisia
NP Content: 4.9 %
 
Stem: (Harvesting time: September)
 Stems Tunisia
NP Content: 0.9 %
 
Stem: (Harvesting time: October)
 Stems Tunisia
NP Content: 4.5 %
 
Stem: (Harvesting time: November)
 Stems Tunisia
NP Content: 4.9 %
 
Stem: (Harvesting time: December)
 Stems Tunisia
NP Content: 5.2 %
References
1 Essential Oil of Artemisia absinthium L. from the Spanish Pyrenees
2 Changes in Essential Oil Composition of Tunisian Myrtus communis var. italica L. During Its Vegetative Cycle