Details of Natural Product (NP)

General Information of Natural Product (ID: NP1106)
  Natural Product Name
(Z)-3,7-Dimethylocta-2,6-Dienyl Valerate
  Synonyms
Neryl valerate; (Z)-3,7-Dimethylocta-2,6-dienyl valerate; 10522-33-5; [(2Z)-3,7-dimethylocta-2,6-dienyl] pentanoate; geranyl pentanoate; (2Z)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL PENTANOATE; Pentanoic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester; neryl pentanoate; (Z)-3,7-Dimethylocta-2,6-dienyl pentanoate; Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester; DTXSID80884486; ZINC5510222; EINECS 234-070-0; LMFA07010899; 3,7-Dimethyl-2,6-octadienyl ester(E)-Pentanoic acid; Pentanoic acid (Z)-3,7-dimethyl-2,6-octadienyl ester; Pentanoic acid, (2Z)-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/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11-
  InChI Key CVSWGLSBJFKWMW-KAMYIIQDSA-N
  Isomeric SMILES CCCCC(=O)OC/C=C(/C)\\CCC=C(C)C
  Canonical SMILES CCCCC(=O)OCC=C(C)CCC=C(C)C
  External Links PubChem ID 6436375
CAS ID 10522-33-5

 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: 0.08 %
References
1 Essential Oil of Artemisia absinthium L. from the Spanish Pyrenees