Details of Natural Product (NP)

General Information of Natural Product (ID: NP0740)
  Natural Product Name
Isoamyl Butyrate
  Synonyms
Isoamyl butyrate; Isopentyl butyrate; 106-27-4; 3-Methylbutyl butanoate; Butanoic acid, 3-methylbutyl ester; 3-Methylbutyl butyrate; Isoamyl butanoate; ISOPENTYL BUTANOATE; Butyric acid, isopentyl ester; Isoamyl-n-butyrate; Isopentyl alcohol, butyrate; Isoamyl butylate; isoamylbutyrate; Butyric acid isoamylester; UNII-505AFM77VU; Isopentyl-n-butyrate; butyric acid isopentyl ester; 3-Methyl-1-butyl butanoate; 505AFM77VU; CHEBI:87422; WE(4:0(3Me)/4:0); Butyric Acid Isoamyl Ester; Iso-amyl butyrate; Isoamyl butyrate (natural); Isoamyl n-Butyrate; FEMA No. 2060; CCRIS 6556; NSC 6548; EINECS 203-380-8; BRN 1702557; AI3-06126; butanoic acid 3-methylbutyl ester; iso amyl butanoate; Butyric acid isoamyl; iso-Amyl n-butyrate; Nat.isoamyl Butyrate; 3-Methylbutyl n-butyrate; Iso Amyl Butyrate Natural; NSC 6548 (Related); DSSTox_CID_22059; DSSTox_RID_79909; DSSTox_GSID_42059; SCHEMBL112594; CHEMBL3187370; DTXSID3042059; NSC6548; NSC-6548; ZINC1693597; Tox21_300384; 1413AA; Isoamyl butyrate, analytical standard; LMFA07010574; MFCD00044888; AKOS015907968; Isoamyl butyrate, >=98%, FCC, FG; MCULE-8558213018; NCGC00248015-01; NCGC00254545-01; CAS-106-27-4; LS-13707; B0760; FT-0627328; E75851; Isoamyl butyrate, natural, >=98%, FCC, FG; A801410; Q49081089
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  Formula C9H18O2
  Weight 158.24
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
  InChI Key PQLMXFQTAMDXIZ-UHFFFAOYSA-N
  Isomeric SMILES CCCC(=O)OCCC(C)C
  Canonical SMILES CCCC(=O)OCCC(C)C
  External Links PubChem ID 7795
CAS ID 106-27-4
NPASS ID NPC178643
CHEMBL ID CHEMBL3187370
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Teucrium chamaedrys
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
The aerial parts of T. chamaedrys were collected at the flowering stage in June 2004 near Corti, Corsica, France and near Oristano, Sardinia, Italy
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               Factor Function
The Corsican and Sardinian oils of T. chamaedrys investigated in this study were qualitatively similar but they differed by the amount of their major components. The major components were beta-caryophyllene (29.0% and 27.4%, respectively) and germacrene D (19.4% and 13.5%, respectively), followed by alpha-humulene (6.8%) and delta-cadinene (5.4%) in the Corsican oil and by caryophyllene oxide (12.3%) and alpha-humulene (6.5%) in the Sardinian oil. These quantitative differences are also noticeable on the amounts of the different class compounds. Especially, the monoterpene hydrocarbons amounted for 10.3% and 4.1% in Sardinian and Corsican oils respectively and the oxygenated sesquiterpenes amounted for 18.9% and only 7.4% in both oils, respectively. Both oils were qualitatively rather similar in comparison with those reported in the literature from various geographic regions. However, among the 87 components identified in this study, 47 minor components (< 0.6%) reported were identified for the first time in T. chamaedrys oil. This study confirms the quantitative variability of the major components according to the plant origin.
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               Factor Part Location NP Content
 
Locality: Corti, Corsica, France
 Aerial parts France
NP Content: <0.05 %
 
Locality: Oristano, Sardinia, Italy
 Aerial parts Italy
NP Content: <0.05 %
References
1 Chemical Composition of the Essential Oils of Teucrium chamaedrys L. from Corsica and Sardinia