Details of Natural Product (NP)

General Information of Natural Product (ID: NP0183)
  Natural Product Name
Linalyl Propionate
  Synonyms
Linalyl propionate; 144-39-8; Linalyl propanoate; 3,7-dimethylocta-1,6-dien-3-yl propanoate; Linalool propionate; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, PROPANOATE; 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate; Linalyl n-propionate; 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-propanoate; 3,7-dimethylocta-1,6-dien-3-yl propionate; 3,7-Dimethyl-1,6-octadien-3-ol propanoate; 3,7-Dimethyl-1,6-octadien-3-yl propanoate; 3,7-Dimethyl-1,6-octadien-3-yl propionate; Propionic acid, linalyl ester (6CI); Propionic Acid Linalyl Ester; (1)-1,5-Dimethyl-1-vinylhex-4-enyl propionate; 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate (7CI,8CI); FEMA No. 2645; EINECS 205-627-5; EINECS 305-130-4; NSC 46139; Propionic acid, linalyl ester; AI3-24353; DSSTox_CID_27574; DSSTox_RID_82427; DSSTox_GSID_47574; SCHEMBL538489; CHEMBL3186660; DTXSID1047574; 1, 3,7-dimethyl-, propanoate; 1, 3,7-dimethyl-, propionate; FEMA 2645; CHEBI:174062; NSC46139; Tox21_302590; BBL028020; MFCD00048607; NSC-46139; STL372904; AKOS015955727; MCULE-2906319134; Linalyl propionate, >=95%, FCC, FG; NCGC00256878-01; CAS-144-39-8; VS-08647; 1,5-Dimethyl-1-vinyl-4-hexenyl propionate; DB-042731; CS-0318525; FT-0627864; L0265; 1,5-Dimethyl-1-vinyl-4-hexenyl propionate #; D91259; Q27274686; methyl?2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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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/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3
  InChI Key WAQIIHCCEMGYKP-UHFFFAOYSA-N
  Isomeric SMILES CCC(=O)OC(C)(CCC=C(C)C)C=C
  Canonical SMILES CCC(=O)OC(C)(CCC=C(C)C)C=C
  External Links PubChem ID 61098
CAS ID 144-39-8
NPASS ID NPC27264
CHEMBL ID CHEMBL3186660
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Ocimum basilicum L
  Factor Name: Chemotype Comparison [1]
              Species Info Factor Info
               Experiment Detail
The study was conducted in North-Central Anatolia under semi arid conditions. Seeds of 18 basil landraces (O. basilicum L.) were collected from local farms and home gardens in Turkey. To examine essential oil composition of the basil landraces without environmental influences, the plants were grown under identical (same environmental and soil conditions) conditions. Seeds were sown on a medium (1:1:1 washed sand, horse manure and field soil) in greenhouse conditions on March 25, 2003. Seedlings were grown until the 3-5 leaf stage. The seedlings were transplanted into pilots in the Gaziosmanpasxa University Experimental Research Station on May 15, 2003. The plants were harvested at the full blooming stage and dried at 35 ℃ for essential oil isolation.
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               Factor Function
Variation of essential oils in the landraces was subjected to cluster analysis, and seven different chemotypes were identified. They were (1) linalool, (2) methyl cinnamate, (3) methyl cinnamate/linalool, (4) methyl eugenol, (5) citral, (6) methyl chavicol (estragol), and (7) methyl chavicol/citral. Methyl chavicol with high citral contents (methyl chavicol/citral) can be considered as a 'new chemotype' in the Turkish basils.
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               Factor Part Location NP Content
 
Chemotype (linalool-rich type)
 Leaves Turkey
NP Content: 0.8 %
      Species Name: Sideritis pusilla
  Factor Name: Variety Comparison; Locality Variation [2]
              Species Info Factor Info
               Experiment Detail
The aerial parts (~35 cm) of each taxa growing wild in eight localities of Almeria province were collected in May 1996. All samples were collected at full flowering. Sideritis pusilla (Lange) Pau ssp. pusilla var. typica, Population/location (UTM): Los Matarines (30SWF7992); Sideritis pusilla ssp. pusilla var. carthaginensis Font Quer, Population/location (UTM): Rambla del Hacho (30SWF7178); Sideritis pusilla ssp. pusilla var. granatensis (Pau) Font Quer, Population/location (UTM): Gafarillos (30SWG8702); Sideritis pusilla ssp. almeriensis (Pau) Malagarriga var. typica, Population/location (UTM): Sierra de Gador, Cerro de los Lobos (30SWF3575); Sideritis pusilla ssp. almeriensis var. littoralis Font Quer, Population/location (UTM): Los Morales (30SWF6775); Sideritis pusilla ssp. almeriensis var. salina Font Quer, Population/location (UTM): Los Pedregales (30SWG7835); Sideritis pusilla ssp. flavovirens (Rouy) Malagarriga, Population/location (UTM): Velez Rubio, Cerro del Huezno (30SWG8965); Sideritis pusilla ssp. osteoxylla (Pau) Pallares, Population/location (UTM): Cabo de Gata, Cerro de S. Miguel (30SWF7165)
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               Factor Function
Monoterpene hydrocarbons, alcohols, sesquiterpenes and diterpenes were the main constituents in all samples. Among these, alpha-pinene (7.1-25.4%), sabinene (5.9-20.4%), fenchone (0.9-19.3%), limonene (1.2-7.4%) and 1,8-cineole (1.8-15.6%) were the major compounds. The results confirm that there are differences between varieties and subspecies, while cluster analysis revealed that the oil composition potentially has chemotaxonomical significance for this taxon.
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               Factor Part Location NP Content
 
Sideritis pusilla ssp. almeriensis var. salina Font Quer (Locality: Los Pedregales)
 Aerial parts Los Pedregales, Spain
NP Content: 0.5 %
 
Sideritis pusilla ssp. flavovirens (Rouy) Malagarriga (Locality: Velez Rubio, Cerro del Huezno)
 Aerial parts Velez Rubio, Cerro del Huezno, Spain
NP Content: 0.4 %
References
1 Variability in essential oil composition of Turkish basils (Ocimum basilicum L.)
2 Essential Oil Composition of Sideritis pusilla (Lange) Pau ssp.