Details of Natural Product (NP)

General Information of Natural Product (ID: NP0708)
  Natural Product Name
Neryl Isovalerate
  Synonyms
Neryl isovalerate; 3915-83-1; Neryl isovalerianate; Neryl 3-methylbutanoate; UNII-5RC970J93J; [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate; 3,7-Dimethyl-2-cis-6-octadien-1-yl isovalerate; 5RC970J93J; Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-; Butanoic acid, 3-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester; Isovaleric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, ISOVALERATE, (Z)-; (Z)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate; WE(8:2(2Z,6E)(3Me,7Me)/4:0(3Me)); Nerol isovalerate; (Z)-Geranyl isovalerate; Neryl beta-methylbutyrate; Isovaleric acid neryl ester; FEMA No. 2778; EINECS 223-478-4; Neryl 3-methylbutyrate; Fema 2778; Neryl isovalerate, >=92%; 3,7-Dimethyl-2,6-octadienyl isovalerate, (Z)-; Neryl .beta.-methyl butyrate; 3,7-Dimethyl-2,6-octadien-1-yl isopentanoate, cis-; 3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate, cis-; SCHEMBL1532537; 3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate, (Z)-; FEMA 2518; DTXSID80884022; ZINC2038252; Butanoic acid, 3-methyl-, (2Z)-3,7-dimethyl-2,6-octadienyl ester; LMFA07010625; 3,7-Dimethyl-isovalerate(E)-2,6-Octadien-1-ol; (2E)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate; Q27262779; 3,7-Dimethyl-2,6-octadienyl ester(E)-Isovaleric acid; Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)- (9CI)
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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/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-
  InChI Key SOUKTGNMIRUIQN-ZROIWOOFSA-N
  Isomeric SMILES CC(C)CC(=O)OC/C=C(/C)\\CCC=C(C)C
  Canonical SMILES CC(C)CC(=O)OCC=C(C)CCC=C(C)C
  External Links PubChem ID 6429039
CAS ID 3915-83-1

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Artemisia arborescens
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Fresh plant samples of A. arborescens growing in Sicily were collected from five different sites: Petru (N 37° 59′ 46″, E 13° 38′ 53″, 69 m); Diga (N 37° 57′ 23″, E 13° 39′ 05″, 198 m), Felice (N 37° 56′ 44″, E 13° 36′ 38″, 484 m), Torto (N 37° 57′ 53″, E 13° 46′ 30″, 55 m) and Artese (N 37° 58′ 28″, E 13° 44′ 13″, 10 m) in January 2010.
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               Factor Function
Forty-three compounds, accounting for more than 92% of the oil, were identified. Monoterpene fraction with the exception of Petru population was higher than the sesquiterpene fraction. beta-Thujone (20.5-55.9%), chamazulene (15.2-49.4%), camphor (1.3-10.7%) and germacrene D (2.3-3.4%) were the main compounds.
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               Factor Part Location NP Content
 
Locality: Petru, Sicily
 Aerial parts Sicily
NP Content: <0.1 %
 
Locality: Diga, Sicily
 Aerial parts Sicily
NP Content: <0.1 %
 
Locality: Felice, Sicily
 Aerial parts Sicily
NP Content: <0.1 %
 
Locality: Venti, Sicily
 Aerial parts Sicily
NP Content: <0.1 %
 
Locality: Arte, Sicily
 Aerial parts Sicily
NP Content: <0.1 %
      Species Name: Helichrysum arenarium
  Factor Name: Locality Variation; Developmental Stage Variation [2]
              Species Info Factor Info
               Experiment Detail
The plant material was collected in eastern Lithuania (July-August, 2002). Numbers of growing localities of H. arenarium with yellow (Y) and orange (O) flowers were as follows: Svencionys district (Zalavas) and Ukmerge district (Sventupe).
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               Factor Function
The 68 constituents identified comprised 73.8-90.7% of the total oil content. It was found that the principal constituents were: beta-caryophyllene (in three inflorescence and one leaf oil), delta-cadinene (in two leaf oils), octadecane (in one leaf oil) and heneicosane (in one inflorescence sample). Monoterpenes and oxygenated monoterpenes made up 4.0-13.9%, aliphatic hydrocarbons 0.4-35.3%, and sesquiterpenes 24.7-71.2% of the oils.
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               Factor Part Location NP Content
 
Inflorescence: (Flower colour: Yellow) + (Locality: Svencionys District, Eastern Lithuania)
 Inflorescence Eastern Lithuania
NP Content: 1.4 %
 
Inflorescence: (Flower colour: Orange) + (Locality: Ukmerge District, Eastern Lithuania)
 Inflorescence Eastern Lithuania
NP Content: < 0.05 %
 
Leaf: (Flower colour: Yellow) + (Locality: Svencionys District, Eastern Lithuania)
 Leaves Eastern Lithuania
NP Content: 0.1 %
References
1 Artemisia arborescens L.: essential oil composition and effects of plant growth stage in some genotypes from Sicily
2 Chemical Composition of the Essential Oils of Wild Helichrysum arenarium (L.) with Differently Colored Inflorescences from Eastern Lithuania