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ScientificNameLabel
Beta-humulene
PHCD compound ID : 445
Chemical Names :
Beta-humulene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1E,5E)-1,4,4-trimethyl-8-methylene-cycloundeca-1,5-diene , (1E,5E)-1,4,4-trimethyl-8-methylenecycloundeca-1,5-diene , (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene , (1E,5E)-1,4,4-trimethyl-8-methylidene-cycloundeca-1,5-diene
Smiles: C=C1CCCC(=CCC(C=CC1)(C)C)C
InChi : InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6+,14-10+
InChi Key : InChIKey=HAVYZKHVTLAPDZ-PPGMXFKZSA-N
PubChem ID : 5318102
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.095542
Hydrogen bond donor count : 0 Electric dipole moment : 0.959
XLogP : 5.985 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.244000
Herb list :
Refrences & Litretures:
  
28.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'390'      DOI:''      Title:'Comparison of Volatile Constituents of Acorus calamus and Asarum europaeum Obtained by Different Techniques'
54.      Journal:'Research Journal of Pharmacognosy'      Year:'2014'      Volume:'1'      Page:'51'      DOI:''      Title:'Assessment of chemical composition of essential oil of Ferula assa-foetida oleogum-resin from two different sites of Yazd province in center of Iran'
159.      Journal:'CHEMIJA'      Year:'2006'      Volume:'17'      Page:'12'      DOI:''      Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
449.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'6411'      DOI:'10.3390/molecules15096411'      Title:'Chemical Analysis and Biological Activity of the Essential Oils of Two Valerianaceous Species from China: Nardostachys chinensis and Valeriana officinalis'
572.      Journal:'Natural Product Research'      Year:'2015'      Volume:'29'      Page:'833'      DOI:'10.1080/14786419.2014.989394'      Title:'Fast determination of Ziziphora tenuior L. essential oil by inorganic–organic hybrid material based on ZnO nanoparticles anchored to a composite made from polythiophene and hexagonally ordered silica'
680.      Journal:'BIOLOGIJA'      Year:'2005'      Volume:'4'      Page:'53'      DOI:''      Title:'Chemical composition of essential oil and antimicrobial activity of Origanum vulgare'
910.      Journal:'Mediterranean Journal of Chemistry'      Year:'2020'      Volume:'10'      Page:'13'      DOI:'10.13171/mjc101020211198kem'      Title:'Chemical composition and insecticidal activity of Anacyclus pyrethrum essential oil from the Bensliman area against Culex pipiens'
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