Details of Natural Product (NP)

General Information of Natural Product (ID: NP1180)
  Natural Product Name
Geranyl Hexanoate
  Synonyms
Geranyl hexanoate; Geranyl caproate; 10032-02-7; UNII-7YL4OO10LS; Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-; [(2E)-3,7-dimethylocta-2,6-dienyl] hexanoate; (E)-3,7-Dimethylocta-2,6-dien-1-yl n-hexanoate; 7YL4OO10LS; Neryl caproate; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, HEXANOATE, (E)-; Hexanoic acid, 3,7-dimethylocta-2,6-dien-1-yl ester, (E)-; (E)-3,7-Dimethyl-2,6-octadienyl hexanoate; WE(8:2(2E,6E)(3Me,7Me)/6:0); Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester; Geranyl n-hexanoate; Geranyl hexanoate (natural); Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester; FEMA No. 2515; 68310-59-8; EINECS 233-102-0; Hexanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester; Hexanoic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester; AI3-36014; 3,7-Dimethyl-2,6-octadienyl hexanoate, (E)-; 3,7-Dimethyl-2,6-octadien-1-yl hexanoate, trans-; EINECS 269-718-1; GERANYLCAPROATE; (2E)-3,7-Dimethyl-2,6-octadienyl hexanoate; Geranyl caproate, AldrichCPR; SCHEMBL874133; SCHEMBL874134; DTXSID20881398; ZINC2030905; LMFA07010618; Q27269023; Geranyl caproate, mixture of isomers, natural (US), >=95%, FG
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  Formula C16H28O2
  Weight 252.39
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12+
  InChI Key ARVSCQUZFFSNKF-NTCAYCPXSA-N
  Isomeric SMILES CCCCCC(=O)OC/C=C(\\C)/CCC=C(C)C
  Canonical SMILES CCCCCC(=O)OCC=C(C)CCC=C(C)C
  External Links PubChem ID 5365992
CAS ID 10032-02-7

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Teucrium flavum
  Factor Name: Month Variation; Developmental Stage Variation [1]
              Species Info Factor Info
               Experiment Detail
The aerial parts of T. flavum were collected in different periods from December to July 2006, from plants growing along the Ionic coast of Sicily (Italy). LF 1-LF 2-LF 3: represent the composition of leaf oils of plant samples collected in December (vegetative stage), February (pre-flowering stage) and April (budding stage) respectively; FL: flower oil; FR: fruit oil.
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               Factor Function
Some components, in all investigated plant parts, remained more or less constant during all the different phases of the plant cycle life. Worthy of note, considering the leaf oils, was that beta-pinene, limonene and germacrene D increased in the pre-flowering stage, while a series of esters and alpha-copaene, beta-caryophyllene, viridiflorol, Tmuurolol and phytol increased in the budding stage (LF3); the vegetative stage oil is generally characterized by a rich chemical composition and some constituents such as isoamyl hexanoate, alpha-humulene, bicyclogermacrene, beta-bisabolene and alpha-bisabolol reached their highest levels in this oil. In the flower oil, linalool and 1-octen-3-yl acetate were the main components compared to the amounts found in the other oils. Fruit oil composition was relatively oil poor, with beta-bisabolene, caryophyllene oxide, cadin-4-en-1-ol and phytone as the major constituents.
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               Factor Part Location NP Content
 
Flower oil
 Flowers Italy
NP Content: 0.2 %
References
1 Seasonal Variations of Teucrium flavum L. Essential Oil