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ScientificNameLabel
Ar-tumerone
PHCD compound ID : 246
Chemical Names :
Ar-tumerone
Molecular Formula : C15H20O1
Molecular Weight : 216.151415
More Details :
Names & Synonyms: 2-methyl-6-(p-tolyl)hept-2-en-4-one , 2-methyl-6-(4-methylphenyl)-2-hepten-4-one , 2-methyl-6-(4-methylphenyl)hept-2-en-4-one
Smiles: CC(=CC(=O)C[C@H](c1ccc(cc1)C)C)C
InChi : InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3/t13-/m1/s1
InChi Key : InChIKey=NAAJVHHFAXWBOK-CYBMUJFWSA-N
PubChem ID : 558221
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.204376
Hydrogen bond donor count : 0 Electric dipole moment : 3.418
XLogP : 3.669 VDW volume : 240.347703
Molecular weight : 216.151415 HOMO-LUMO gap : 9.511000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
469.      Journal:'International Journal of Pharmaceutical Sciences and Drug Research'      Year:'2013'      Volume:'5'      Page:'187'      DOI:''      Title:'Antimicrobial Activity and the Chemical Composition of the Volatile Oil Blend from Allium sativum (Garlic Clove) and Citrus reticulate (Tangerine Fruit)'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
836.      Journal:'International Journal of ChemTech Research'      Year:'2010'      Volume:'2'      Page:'149'      DOI:''      Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
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