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ScientificNameLabel
E-alpha-bisabolene
PHCD compound ID : 788
Chemical Names :
E-alpha-bisabolene , (E)-alpha-Bisabolene , trans-alpha-Bisabolene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 4-[(1E)-1,5-dimethylhexa-1,4-dienyl]-1-methyl-cyclohexene , 1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene
Smiles: CC(=CC/C=C(/[C@H]1CCC(=CC1)C)\C)C
InChi : InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+/t15-/m1/s1
InChi Key : InChIKey=YHBUQBJHSRGZNF-KEQVLUGWSA-N
PubChem ID : 5315468
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.095971
Hydrogen bond donor count : 0 Electric dipole moment : 0.667
XLogP : 5.695 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.334000
Herb list :
Refrences & Litretures:
  
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'
131.      Journal:'J. Sep. Sci'      Year:'2009'      Volume:'32'      Page:'99'      DOI:'10.1002/jssc.200800404'      Title:'Essential oil composition of Citrusmedica L. Cv. Diamante (Diamante citron) determined after using different extractionmethods'
670.      Journal:'Journal of Essential Oil Research'      Year:'2014'      Volume:'26'      Page:'400'      DOI:'10.1080/10412905.2014.964428'      Title:'Antimicrobial activity and chemical composition of Citrus aurantifolia (Christm.) Swingle essential oil from Italian organic crops'
672.      Journal:'Molecules'      Year:'2012'      Volume:'17'      Page:'11173'      DOI:'10.3390/molecules170911173'      Title:'Chemical Composition of Hexane Extract of Citrus aurantifolia and Anti-Mycobacterium tuberculosis Activity of Some of Its Constituents'
686.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'513'      DOI:'10.1080/0972060X.2014.901607'      Title:'Antioxidant Activities and Chemical Composition of Essential Oils from Satureja khuzestanica, Oliveria decumbens and Thymus daenensis'
736.      Journal:'Fitoterapia'      Year:'2009'      Volume:'80'      Page:'57'      DOI:'10.1016/j.fitote.2008.09.008'      Title:'Chemical characterization and biological activity of essential oils from Daucus carota L. subsp. carota growing wild on theMediterranean coast and on the Atlantic coast'
737.      Journal:'Journal of Ethnopharmacology'      Year:'2008'      Volume:'119'      Page:'129'      DOI:'10.1016/j.jep.2008.06.012'      Title:'Essential oil of Daucus carota subsp. halophilus: Composition, antifungal activity and cytotoxicity'
779.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'59'      DOI:'10.1080/0972060X.2013.764190'      Title:'Essential Oil Composition, Total Phenolic Content, Antioxidant Activity and Antifungal Properties of Iranian Thymus daenensis subsp. Daenensis Celak. as in Influenced by Ontogenetical Variation'
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