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ScientificNameLabel
Beta-Curcumene
PHCD compound ID : 490
Chemical Names :
Beta-Curcumene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 1-[(1R)-1,5-dimethylhex-4-enyl]-4-methyl-cyclohexa-1,4-diene , 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene
Smiles: CC(=CCC[C@H](C1=CCC(=CC1)C)C)C
InChi : InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,11,14H,5,7,9-10H2,1-4H3/t14-/m1/s1
InChi Key : InChIKey=JXZQZARENYGJMK-CQSZACIVSA-N
PubChem ID : 14014430
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.905824
Hydrogen bond donor count : 0 Electric dipole moment : 0.852
XLogP : 5.779 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.227000
Herb list :
Refrences & Litretures:
  
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
168.      Journal:'European Journal of Experimental Biology'      Year:'2012'      Volume:'2'      Page:'1771'      DOI:''      Title:'Essential oil content and composition of Lippa citriodora as affected by drying method before flowering stages'
296.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'233'      DOI:'10.3390/molecules15010233'      Title:'Determination of the Volatile Composition in Essential Oil of Descurainia sophia (L.) Webb ex Prantl (Flixweed) by Gas Chromatography/Mass Spectrometry (GC/MS)'
297.      Journal:'J Food Sci Technol'      Year:'2015'      Volume:'52'      Page:'4450'      DOI:'10.1007/s13197-014-1353-3'      Title:'Optimization of supercritical fluid extraction of essential oils and fatty acids from flixweed (Descurainia Sophia L.) seed using response surface methodology and central composite design'
451.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'397'      DOI:'10.1080/10412905.2004.9698753'      Title:'Essential Oil of Valeriana officinalis L. s.l. Growing Wild in Western Serbia'
757.      Journal:'CLINICS'      Year:'2011'      Volume:'66'      Page:'843'      DOI:'10.1590/S1807-59322011000500022'      Title:'Chemical composition of the essential oil from Kelussia odoratissima Mozaff. and the evaluation of its sedative and anxiolytic effects in mice'
863.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2007'      Volume:'10'      Page:'310'      DOI:'10.1080/0972060X.2007.10643560'      Title:'Chemical Composition of Commercial Juniperus communis L. Leaf Oil'
905.      Journal:'Natural Product Communications'      Year:'2008'      Volume:'3'      Page:'1121'      DOI:'10.1177/1934578X0800300716'      Title:'Essential Oil Composition of Eryngium campestre L. Growing in Different Soil Types. A Preliminary Study'
906.      Journal:'Molecules'      Year:'2019'      Volume:'24'      Page:'2575'      DOI:'10.3390/molecules24142575'      Title:'Essential Oil of Algerian Eryngium campestre: Chemical Variability and Evaluation of Biological Activities'
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