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ScientificNameLabel
Kessane
PHCD compound ID : 2881
Chemical Names :
Kessane
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms:
Smiles: C[C@@H]1CC[C@@H]2[C@@H]1C[C@H]1CC[C@]2(C)OC1(C)C
InChi : InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13-,15+/m1/s1
InChi Key : InChIKey=QRVMFXFSGYDNJI-HVNMYJMUSA-N
PubChem ID : 11310616
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.342131
Hydrogen bond donor count : 0 Electric dipole moment : 1.380
XLogP : 4.495 VDW volume : 239.717079
Molecular weight : 222.198365 HOMO-LUMO gap : 12.126000
Herb list :
Refrences & Litretures:
  
364.      Journal:'Food Chemistry'      Year:'2008'      Volume:'110'      Page:'501'      DOI:'10.1016/j.foodchem.2008.02.018'      Title:'Comparative essential oil composition of flowers, leaves and stems of basil (Ocimum basilicum L.) used as herb'
450.      Journal:'Journal of Chromatography A'      Year:'2008'      Volume:'1180'      Page:'159'      DOI:'10.1016/j.chroma.2007.12.011'      Title:'Essential oil composition of Valeriana officinalis L. roots cultivated in Iran Comparative analysis between supercritical CO2 extraction and hydrodistillation'
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
647.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2003'      Volume:'2'      Page:'245'      DOI:''      Title:'Composition of the Essential Oil of the Root of Heracleum persicum from Iran'
756.      Journal:'Journal of Herbs, Spices & Medicinal Plants'      Year:'2011'      Volume:'17'      Page:'62'      DOI:'10.1080/10496475.2011.560089'      Title:'Chemical Composition of Three Ecotypes of Wild Celery (Kelussia odoratissima)'
803.      Journal:'Acta Sci. Pol. Hortorum Cultus'      Year:'2016'      Volume:'15'      Page:'147'      DOI:''      Title:'The chemical composition of the essential oil of leaf celery (Apium graveolens L. var. Secalinum Alef.) under the plants’ irrigation and harvesting method'
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