Details of Natural Product (NP)

General Information of Natural Product (ID: NP1169)
  Natural Product Name
Geranyl Butyrate
  Synonyms
Geranyl butyrate; 106-29-6; 3,7-Dimethylocta-2,6-dien-1-yl butyrate; Geraniol butyrate; Geranyl butanoate; Geranyl n-butyrate; Butanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester; UNII-69AVH8L7KL; Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-; BUTYRIC ACID, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (E)-; 69AVH8L7KL; (E)-3,7-Dimethyl-2,6-octadienyl butyrate; [(2E)-3,7-dimethylocta-2,6-dienyl] butanoate; 3,7-Dimethyl-2,6-octadienyl Butyrate; WE(8:2(2E,6E)(3Me,7Me)/4:0); MFCD00036538; Butyric acid geranyl ester; Geranyl butyrate (natural); FEMA No. 2512; AG 76; EINECS 203-381-3; NSC 46146; Butanoic acid,7-dimethyl-2,6-octadienyl ester, (E)-; Butyric acid,7-dimethyl-2,6-octadienyl ester, (E)-; geranylbutyrate; AI3-15359; 3,7-Dimethyl-2,6-octadienyl butyrate, (E)-; 3,7-Dimethyl-2,6-octadienyl butanoate, (E)-; trans-3,7-Dimethyl-2,6-octadien-1-yl butyrate; 3,7-Dimethyl-2,6-octadien-1-yl butanoate, trans-; 2,6-Octadien-1-ol, 3,7-dimethyl-, butyrate, (E)-; DSSTox_CID_27152; DSSTox_RID_82155; DSSTox_GSID_47152; Butanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester; n-Butyric acid, geranyl ester; SCHEMBL118465; SCHEMBL118466; CHEMBL3187344; DTXSID1047152; Geranyl butyrate, >=95%, FCC; NSC46146; NSC70177; ZINC1677814; Tox21_301108; LMFA07010616; NSC-46146; NSC-70177; AKOS015913959; Geranyl butyrate, natural, >=95%, FG; NCGC00248290-01; NCGC00255008-01; AS-64315; CAS-106-29-6; LS-14345; M528; (2E)-3,7-Dimethyl-2,6-octadienyl butyrate #; (2E)-3,7-dimethylocta-2,6-dien-1-yl butanoate; (2Z)-3,7-dimethyl-2,6-octadien-1-yl butyrate; 106G296; A801412; J-001564; Q10864413; (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL BUTYRATE; Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- (9CI)
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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/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
  InChI Key ZSBOMYJPSRFZAL-JLHYYAGUSA-N
  Isomeric SMILES CCCC(=O)OC/C=C(\\C)/CCC=C(C)C
  Canonical SMILES CCCC(=O)OCC=C(C)CCC=C(C)C
  External Links PubChem ID 5355856
CAS ID 106-29-6
NPASS ID NPC135698
CHEMBL ID CHEMBL3187344
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Pelargonium graveolens L'Her.
  Factor Name: Cultivar Comparison; Seasonal Variation [1]
              Species Info Factor Info
               Experiment Detail
One-month-old rooted stem cuttings of three rosescented geranium cultivars, namely Bourbon type, CIM-Pawan and Kelkar were transplanted at 50 × 50 cm plant spacing in the experimental field of Central Institute of Medicinal and Aromatic Plants, Research Center Purara, Uttarakhand, in October 2007. Plants were irrigated immediately after transplanting and further crops were raised following the normal agricultural practices needed to grow the plant. The experimental site is located between the coordinates 28° 60′ and 31° 29′ N, 77° 49′ and 80° 60 m E, and at an altitude of 1250 m in the Kattyur valley. Climatologically, it is categorized as a sub-temperate (1200-1700 m) zone, where monsoon usually breaks in June and continues up to September. Sampling of the rose-scented geranium cultivars was started from March 2008 and taken on the tenth of every month until February 2009. Samples were collected in triplicate in each season. (A, cv. Bourbon type; B, cv. CIM-Pawan; C, cv. Kelkar; I, spring season; II, summer season; III, rainy season;IV, autumn season; V, winter season).
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               Factor Function
The major components in the essential oil of cv. Bourbon type were geraniol (14.1-34.6%), citronellol (15.2-31.3%), linalool (2.9-9.2%), citronellyl formate (4.4-9.2%), isomenthone (4.5-6.6%), 10-epi-gamma-eudesmol (4.7-6.7%) and geranyl formate (3.8-6.2%). The dominant constituents of the cv. CIM-Pawan essential oil were geraniol (11.9-31.9%), citronellol (16.1-30.2%), citronellyl formate (5.2-8.9%), linalool (3.7-6.4%), isomenthone (4.0-6.3%), 10-epi-gamma-eudesmol (4.4-5.2%) and geranyl formate (4.3-5.0%). However, the chemical composition and odor of cv. Kelkar was quite different from the other two cultivars and the major components found in this oil were citronellol (51.0-63.4%) and isomenthone (9.8-17.8%).
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               Factor Part Location NP Content
 
Pelargonium graveolens cv. Bourbon type: (Harvesting time: spring season)
 Fresh herb Iran
NP Content: 0.9 %
 
Pelargonium graveolens cv. Bourbon type: (Harvesting time: summer season)
 Fresh herb Iran
NP Content: 0.3 %
 
Pelargonium graveolens cv. Bourbon type: (Harvesting time: autumn season)
 Fresh herb Iran
NP Content: 0.7 %
 
Pelargonium graveolens cv. Bourbon type: (Harvesting time: winter season)
 Fresh herb Iran
NP Content: 0.5 %
 
Pelargonium graveolens cv. Bourbon type: (Harvesting time: rainy season)
 Fresh herb Iran
NP Content: 0.2 %
 
Pelargonium graveolens cv. CIM-Pawan: (Harvesting time: spring season)
 Fresh herb Iran
NP Content: 0.2 %
 
Pelargonium graveolens cv. CIM-Pawan: (Harvesting time: autumn season)
 Fresh herb Iran
NP Content: 1 %
 
Pelargonium graveolens cv. CIM-Pawan: (Harvesting time: winter season)
 Fresh herb Iran
NP Content: 0.5 %
 
Pelargonium graveolens cv. CIM-Pawan: (Harvesting time: rainy season)
 Fresh herb Iran
NP Content: 0.4 %
      Species Name: Thymus vulgaris
  Factor Name: Cultivar Comparison; Seasonal Variation [1]
References
1 Essential oil composition of Pelargonium graveolens L'Her ex Ait. cultivars harvested in different seasons