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ScientificNameLabel
Alpha-elemene
PHCD compound ID : 833
Chemical Names :
Alpha-elemene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (6R)-1-isopropyl-3-isopropylidene-6-methyl-6-vinyl-cyclohexene , (6R)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene , (6R)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidene-cyclohexene
Smiles: C=C[C@@]1(C)CCC(=C(C)C)C=C1C(C)C
InChi : InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10,12H,1,8-9H2,2-6H3/t15-/m0/s1
InChi Key : InChIKey=QDUJKDRUFBJYSQ-HNNXBMFYSA-N
PubChem ID : 11019992
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.358337
Hydrogen bond donor count : 0 Electric dipole moment : 0.524
XLogP : 6.245 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 8.972000
Herb list :
Refrences & Litretures:
  
62.      Journal:'Int. J. Agric. Biol'      Year:'2009'      Volume:'11'      Page:'205'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Thyme (Thymus vulgaris) from Eastern Morocco'
104.      Journal:'Journal of Chromatography A'      Year:'2009'      Volume:'1216'      Page:'2768'      DOI:'10.1016/j.chroma.2008.09.109'      Title:'Fast gas chromatography characterisation of puri?ed semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae)'
125.      Journal:'Chemistry of Natural Compounds'      Year:'2008'      Volume:'44'      Page:'124'      DOI:''      Title:'STUDY OF THE ESSENTIAL OIL VARIATION OF Ferula gummosa SAMPLES FROM IRAN'
307.      Journal:'EJEAFChe'      Year:'2010'      Volume:'9'      Page:'1074'      DOI:''      Title:'ANTIBACTERIAL ACTIVITY AND CHEMICAL COMPOSITION OF THE ESSENTIAL OIL FROM FLOWERS OF NERIUM OLEANDER'
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'
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
538.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'1'      DOI:'10.1080/0972060X.2013.831562'      Title:'Antioxidant, Anti-inflammatory and Antinociceptive Properties of Black Pepper Essential Oil (Piper nigrum Linn)'
653.      Journal:'Afr. J. Biotechnol'      Year:'2012'      Volume:'11'      Page:'12921'      DOI:'10.5897/AJB12.1570'      Title:'The essential oil composition of Carthamus tinctorius L. flowers growing in Iran'
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
851.      Journal:'J. Essent. Oil Res'      Year:'1995'      Volume:'7'      Page:'147'      DOI:'10.1080/10412905.1995.9698489'      Title:'Chemical Composition of Eucalyptus globulus Oils from the Montenegro Coast and East Coast of Spain'
867.      Journal:'Parasitol Res'      Year:'2013'      Volume:'112'      Page:'1197'      DOI:'10.1007/s00436-012-3251-9'      Title:'Essential oil composition and larvicidal activity of Toddalia asiatica roots against the mosquito Aedes albopictus (Diptera: Culicidae)'
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