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ScientificNameLabel
cis-Caryophyllene
PHCD compound ID : 341
Chemical Names :
cis-Caryophyllene , Beta-cis-Caryophyllene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (4Z)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene , (4Z)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene , (4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene , (4Z)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-4-ene
Smiles: CC1=CCCC(=C)[C@H]2[C@H](CC1)C(C2)(C)C
InChi : InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m0/s1
InChi Key : InChIKey=NPNUFJAVOOONJE-BJLYVFBQSA-N
PubChem ID : 5322111
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.141718
Hydrogen bond donor count : 0 Electric dipole moment : 1.165
XLogP : 6.044 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.349000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
77.      Journal:'Annals of Biological Research'      Year:'2012'      Volume:'3'      Page:'1443'      DOI:''      Title:'Comparative Study of the Essential Oil Chemical Composition of Thymus Kotschyanus Boiss. & Hohen var. kotschyanus from Iran'
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'
488.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'259'      DOI:'10.1002/ffj.993'      Title:'Essential oils of different cultivars of Cannabis sativa L. and their antimicrobial activity'
660.      Journal:'Journal of Chromatography A'      Year:'2007'      Volume:'1150'      Page:'50'      DOI:'10.1016/j.chroma.2006.08.080'      Title:'Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-?ight mass spectrometry'
689.      Journal:'International Journal of Food Science and Technology'      Year:'2012'      Volume:'47'      Page:'1579'      DOI:'10.1111/j.1365-2621.2012.03006.x'      Title:'Chemical composition, antioxidative capacity and interactive antimicrobial potency of Satureja khuzestanica Jamzad essential oil and antimicrobial agents against selected food-related microorganisms'
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