Skip Navigation Links
ScientificNameLabel
Erucic
PHCD compound ID : 264
Chemical Names :
Erucic acid , Erucic
Molecular Formula : C22H42O2
Molecular Weight : 338.318481
More Details :
Names & Synonyms: (Z)-docos-13-enoic acid , (Z)-13-docosenoic acid , erucic acid
Smiles: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
InChi : InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
InChi Key : InChIKey=DPUOLQHDNGRHBS-KTKRTIGZSA-N
PubChem ID : 5281116
Rotatable bond count : 19 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.564041
Hydrogen bond donor count : 1 Electric dipole moment : 2.128
XLogP : 10.468 VDW volume : 401.375656
Molecular weight : 338.318481 HOMO-LUMO gap : 10.560000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
211.      Journal:'Chemistry of Natural Compounds'      Year:'1994'      Volume:'30'      Page:'292'      DOI:''      Title:'SOME COMPONENTS OF THE SEED OIL OF Malva sylvestris'
311.      Journal:'Journal of Ethnopharmacology'      Year:'2011'      Volume:'137'      Page:'643'      DOI:'10.1016/j.jep.2011.06.020'      Title:'Effects of Portulaca oleracea L. seeds in treatment of type-2 diabetes mellitus patients as adjunctive and alternative therapy'
484.      Journal:'Food Chemistry'      Year:'2007'      Volume:'104'      Page:'229'      DOI:'10.1016/j.foodchem.2006.11.032'      Title:'Chemical composition and characterisation of seeds from two varieties (pure and hybrid) of Aesculus hippocastanum'
603.      Journal:'Am. J. Sci. Ind. Res'      Year:'2013'      Volume:'4'      Page:'540'      DOI:'10.5251/ajsir.2013.4.6.540.545'      Title:'Chemical characterization and fatty acid profile of different sesame verities in Pakistan'
644.      Journal:'Int. J. Biosci'      Year:'2015'      Volume:'6'      Page:'156'      DOI:''      Title:'Essential oil constituents and fatty acids in Echium amoenum grown wild in Iran'
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us