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ScientificNameLabel
isocariophylene
PHCD compound ID : 444
Chemical Names :
isocariophylene , Isocaryophyllene , iso-Caryophyllene , Isocaryophillene , Gamma-caryophyllene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4Z,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene , (1R,4Z,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene , (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene , (1R,4Z,9S)-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-/m1/s1
InChi Key : InChIKey=NPNUFJAVOOONJE-FLFDDASRSA-N
PubChem ID : 5281522
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.173142
Hydrogen bond donor count : 0 Electric dipole moment : 1.330
XLogP : 6.044 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.390000
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'
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
101.      Journal:'Bull. Env. Pharmacol. Life Sci'      Year:'2014'      Volume:'3'      Page:'148'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Matricaria chamomilla'
135.      Journal:'Natural Product Research'      Year:'2009'      Volume:'23'      Page:'546'      DOI:'10.1080/14786410601132394'      Title:'The volatile constituents analysis of Lallemantia iberica (M.B.) Fischer & Meyer from Iran'
282.      Journal:'Intl J Farm & Alli Sci'      Year:'2015'      Volume:'4'      Page:'197'      DOI:''      Title:'Study of chemical composition and antibacterial effects of essential oils of Stachys lavandulifolia Vahl., Salvia verticillata L., and Tanacetum polycephalum Schultz-Bip. on some microbial lineages'
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'
344.      Journal:'Food Control'      Year:'2014'      Volume:'35'      Page:'109'      DOI:'10.1016/j.foodcont.2013.06.056'      Title:'Chemical composition, antibacterial activity and mechanism of action of essential oil from seeds of fennel (Foeniculum vulgare Mill.)'
487.      Journal:'Fitoterapia'      Year:'2010'      Volume:'81'      Page:'413'      DOI:'10.1016/j.?tote.2009.11.010'      Title:'Characterization and antimicrobial activity of essential oils of industrial hemp varieties (Cannabis sativa L.)'
530.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'3840'      DOI:'10.1021/jf021187b'      Title:'Sensory and Instrumental Evaluation of Catnip (Nepeta cataria L.) Aroma'
781.      Journal:'Digest Journal of Nanomaterials and Biostructures'      Year:'2009'      Volume:'4'      Page:'835'      DOI:''      Title:'CHEMICAL CHARACTERIZATION OF BIOACTIVE VOLATILE MOLECULES OF FOUR THYMUS SPECIES USING NANOSCALE INJECTION METHOD'
796.      Journal:'Journal of Food Science'      Year:'2005'      Volume:'70'      Page:'M208'      DOI:'10.1111/j.1365-2621.2005.tb07190.x'      Title:'Chemical Constituents, Antimicrobial Investigations, and Antioxidative Potentials of Anethum graveolens L. Essential Oil and Acetone Extract: Part 52'
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