Details of Natural Product (NP)

General Information of Natural Product (ID: NP1100)
  Natural Product Name
Geranyl Propionate
  Synonyms
Geranyl propionate; 105-90-8; Geranyl propanoate; UNII-U9F1RPB24G; (E)-3,7-Dimethyl-2,6-octadien-1-ol propionate; [(2E)-3,7-dimethylocta-2,6-dienyl] propanoate; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPANOATE, (E)-; U9F1RPB24G; 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2E)-; (E)-3,7-Dimethyl-2,6-octadienyl propionate; WE(8:2(2E,6E)(3Me,7Me)/3:0); Geranyl propionate (natural); FEMA No. 2517; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate; EINECS 203-344-1; Propionic acid, geranyl ester; AI3-24355; 3,7-Dimethyl-2,6-octadienyl propanoate, (E)-; 3,7-Dimethyl-2,6-octadienyl propionate, (E)-; trans-3,7-Dimethyl-2,6-octadien-1-yl propionate; geranyl-n-propanoate; Geranyl n-propanoate; Geranyl n-propionate; 3,7-Dimethyl-2,6-octadien-1-yl propanoate, trans-; NSC 46138; Propionic acid, geranyl ester (6CI); 3,7-Dimethyl-2,6-octadien-1-yl, propanoate; Geranyl propionate, natural; DSSTox_CID_30092; DSSTox_GSID_51540; SCHEMBL356536; SCHEMBL356537; DTXSID8051540; 2, 3,7-dimethyl-, propanoate; 3,6-octadien-1-yl, propanoate; NSC46138; ZINC1677808; Tox21_303994; 6124AF; LMFA07010614; NSC-46138; AKOS024319239; Geranyl propionate, >95%, FCC, FG; NCGC00357214-01; CAS-105-90-8; Geranyl propionate, natural, >=95%, FG; (2E)-3,7-Dimethyl-2,6-octadienyl propionate; D96011; trans-3,7-Dimethyl-2,6-Octadienyl propionate; (E)-3,7-Dimethyl-2,6-octadien-1-ol propanoate; Propionic acid 3,7-dimethyl-2,6-octadienyl ester; J-001499; J-525003; Trans-3,7-dimethyl-octa-2,6-dien-1-yl propanoate; Q10869283; (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL PROPIONATE; propanoic acid trans-3,7-dimethyl-oct-2,6-dien-1-ylester; 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)- (8CI)
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  Formula C13H22O2
  Weight 210.31
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
  InChI Key BYCHQEILESTMQU-FMIVXFBMSA-N
  Isomeric SMILES CCC(=O)OC/C=C(\\C)/CCC=C(C)C
  Canonical SMILES CCC(=O)OCC=C(C)CCC=C(C)C
  External Links PubChem ID 5355853
CAS ID 105-90-8

 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: <0.03 %
References
1 Essential Oil of Artemisia absinthium L. from the Spanish Pyrenees