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ScientificNameLabel
Elemene
PHCD compound ID : 606
Chemical Names :
Tau-Elemene , Elemene , Cyclohexane,1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-,(1alpha,2beta,4beta) , Cyclohexane,2,4-diisopropenyl-1-methyl-1-vinyl
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane , 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane , 1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
Smiles: C=C[C@]1(C)CC[C@H](C[C@H]1C(=C)C)C(=C)C
InChi : InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
InChi Key : InChIKey=OPFTUNCRGUEPRZ-QLFBSQMISA-N
PubChem ID : 10583
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.513392
Hydrogen bond donor count : 0 Electric dipole moment : 1.064
XLogP : 6.071 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.580000
Herb list :
Refrences & Litretures:
  
35.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'548'      DOI:'10.1016/j.foodchem.2010.04.064'      Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
72.      Journal:'Industrial Crops and Products'      Year:'2006'      Volume:'24'      Page:'253'      DOI:'10.1016/j.indcrop.2006.06.011'      Title:'Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition'
283.      Journal:'J. Bio. & Env. Sci'      Year:'2015'      Volume:'6'      Page:'187'      DOI:''      Title:'Identification of the volatile composition of Stachys lavandulifolia Vahl. and Salvia spinosa L. in Isfahan climatic conditions'
363.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'273'      DOI:'10.3390/molecules14010273'      Title:'The Main Chemical Composition and in vitro Antifungal Activity of the Essential Oils of Ocimum basilicum Linn. var. pilosum (Willd.) Benth'
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)'
768.      Journal:'J. Agric. Food Chem'      Year:'1999'      Volume:'47'      Page:'3292'      DOI:'10.1021/jf981159m'      Title:'Compartive Study of Volatile Components and Fatty Acids of Plants and in Vitro Cultures of Parsley (Petroselinum crispum (Mill) Nym ex Hill)'
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