Details of Natural Product (NP)

General Information of Natural Product (ID: NP1105)
  Natural Product Name
Neryl Propionate
  Synonyms
Neryl propionate; Neryl propanoate; 105-91-9; Propionic acid, neryl ester; UNII-FAS39QE02Z; [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate; cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-; Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester; 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPIONATE, (Z)-; FAS39QE02Z; (2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate; Neryl propionate (natural); 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2Z)-; FEMA No. 2777; EINECS 203-345-7; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2Z)-; 3,7-Dimethyl-2,6-octadienyl propanoate, (Z)-; 3,7-Dimethyl-2,6-octadienyl propionate, (Z)-; 3,7-Dimethyl-2,6-octadien-1-yl propanoate, cis-; 3,7-Dimethyl-2,6-octadien-1-yl propionate, cis-; SCHEMBL1532465; FEMA 2777; DTXSID90883167; CHEBI:174072; ZINC1851030; LMFA07010976; AKOS015901976; (Z)-3,7-Dimethyl-2,6-octadienyl propanoate; (Z)-3,7-Dimethyl-2,6-octadienyl propionate; (Z)-3,7-dimethylocta-2,6-dienyl propionate; 3,7-Dimethyl-propanoate(Z)-2,6-Octadien-1-ol; 3,7-Dimethyl-propionate(Z)-2,6-Octadien-1-ol; cis-3,7-Dimethyl-2,6-octadien-1-yl propanoate; cis-3,7-Dimethyl-2,6-octadien-1-yl propionate; (2Z)-3,7-Dimethyl-2,6-octadienyl propionate #; (Z)-3,7-dimethyl-2,6-octadien-1-yl propanoate; 3,7-Dimethyl-propanoate(2Z)-2,6-Octadien-1-ol; 3,7-Dimethyl-1-propanoate(2Z)-2,6-Octadien-1-ol; 3-CYSTEINYLACETAMINOPHEN,TRIFLUOROACETICACIDSALT; Q27277892
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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-XFXZXTDPSA-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 5365982
CAS ID 105-91-9

 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 + chrysanthenyl acetate type)
 Leaves Spain
NP Content: <0.03 %
References
1 Essential Oil of Artemisia absinthium L. from the Spanish Pyrenees