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ScientificNameLabel
Butylidenphthalide
PHCD compound ID : 4190
Chemical Names :
Butylidenphthalide , (Z)-3-butylidene phthalide , (Z)-3-Butyldiene Phthalide , ButylidenePhthalide , cis-3-butylidene phthalide , 3Z-Butylidene phthalide
Molecular Formula : C12H12O2
Molecular Weight : 188.08373
More Details :
Names & Synonyms: (3Z)-3-butylideneisobenzofuran-1-one , (3Z)-3-butylidene-1-isobenzofuranone , (3Z)-3-butylidene-2-benzofuran-1-one , (3Z)-3-butylidenephthalide
Smiles: CCC/C=C/1\OC(=O)c2c1cccc2
InChi : InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
InChi Key : InChIKey=WMBOCUXXNSOQHM-FLIBITNWSA-N
PubChem ID : 642376
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.307855
Hydrogen bond donor count : 0 Electric dipole moment : 4.355
XLogP : 2.74 VDW volume : 184.893517
Molecular weight : 188.08373 HOMO-LUMO gap : 8.199000
Herb list :
Refrences & Litretures:
  
594.      Journal:'ANTICANCER RESEARCH'      Year:'2011'      Volume:'31'      Page:'185'      DOI:''      Title:'Chemical Composition and Antiproliferative Activity of Essential Oil from the Leaves of a Medicinal Herb, Levisticum officinale, against UMSCC1 Head and Neck Squamous Carcinoma Cells'
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)'
757.      Journal:'CLINICS'      Year:'2011'      Volume:'66'      Page:'843'      DOI:'10.1590/S1807-59322011000500022'      Title:'Chemical composition of the essential oil from Kelussia odoratissima Mozaff. and the evaluation of its sedative and anxiolytic effects in mice'
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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