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ScientificNameLabel
Z-Ligustilide
PHCD compound ID : 4187
Chemical Names :
Z-Ligustilide , (Z)-ligustilide
Molecular Formula : C12H14O2
Molecular Weight : 190.09938
More Details :
Names & Synonyms: 3-butylidene-4,5-dihydroisobenzofuran-1-one , 3-butylidene-4,5-dihydro-2-benzofuran-1-one
Smiles: CCC/C=C/1\OC(=O)C2=C1CCC=C2
InChi : InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-
InChi Key : InChIKey=IQVQXVFMNOFTMU-FLIBITNWSA-N
PubChem ID : 529865
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.985600
Hydrogen bond donor count : 0 Electric dipole moment : 5.244
XLogP : 2.819 VDW volume : 198.429975
Molecular weight : 190.09938 HOMO-LUMO gap : 7.851000
Herb list :
Refrences & Litretures:
  
592.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'318'      DOI:'10.1080/0972060X.2013.764187'      Title:'Changes in Content and Constituents of Essential Oil in Different Plant Parts of Lovage (Levisticum officinale Koch. Cv. Budakalaszi) Cultivated in Iran'
596.      Journal:'J. Essent. Oil Res'      Year:'2008'      Volume:'20'      Page:'318'      DOI:'10.1080/10412905.2008.9700022'      Title:'Composition of the Essential Oil of Levisticum Offcinale W.D.J. Koch from Some European Countries'
754.      Journal:'Advanced Herbal Medicine'      Year:'2015'      Volume:'1'      Page:'21'      DOI:''      Title:'The essential oil composition of wild celery (Kelussia odoratissima Mozaff.): An Iranian endemic plant'
755.      Journal:'Experimental Parasitology'      Year:'2012'      Volume:'132'      Page:'470'      DOI:'org/10.1016/j.exppara.2012.09.010'      Title:'Identification of chemical constituents and larvicidal activity of Kelussia odoratissima Mozaffarian essential oil against two mosquito vectors Anopheles stephensi and Culex pipiens (Diptera: Culicidae)'
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)'
758.      Journal:'Chemistry of Natural Compounds'      Year:'2010'      Volume:'46'      Page:'813'      DOI:'10.1007/s10600-010-9754-7'      Title:'CHEMICAL CHARACTERISTICS OF THE SEED OF IRANIAN ENDEMIC PLANT Kelussia odoratissima'
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