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ScientificNameLabel
beta-tumerone
PHCD compound ID : 1720
Chemical Names :
beta-tumerone , Beta-Turmerone , Beta-tunnerone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: 2-methyl-6-(4-methylenecyclohex-2-en-1-yl)hept-2-en-4-one , 2-methyl-6-(4-methylene-1-cyclohex-2-enyl)-2-hepten-4-one , 2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-one
Smiles: C[C@@H]([C@H]1CCC(=C)C=C1)CC(=O)C=C(C)C
InChi : InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-14H,3,6,8,10H2,1-2,4H3/t13-,14-/m1/s1
InChi Key : InChIKey=JIJQKFPGBBEJNF-ZIAGYGMSSA-N
PubChem ID : 196216
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.077926
Hydrogen bond donor count : 0 Electric dipole moment : 2.757
XLogP : 4.307 VDW volume : 253.884161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.220000
Herb list :
Refrences & Litretures:
  
194.      Journal:'J Nat Pharm Prod'      Year:'2015'      Volume:'10'      Page:'e21968'      DOI:'10.17795/jjnpp-21968'      Title:'Essential Oil of Arial Parts of Adiantum capillus-veneris: Chemical Composition and Antioxidant Activity'
372.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1026'      DOI:'10.1016/j.fct.2010.01.015'      Title:'Comparative study of chemical composition and antioxidant activity of fresh and dry rhizomes of turmeric (Curcuma longa Linn.)'
373.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'191'      DOI:'10.1002/ffj.1780'      Title:'Comparison of chemical composition and antifungal activity of Curcuma longa L. leaf oils produced by different water distillation techniques'
374.      Journal:'J. Essent. Oil Res'      Year:'1997'      Volume:'9'      Page:'589'      DOI:'10.1080/10412905.1997.9700783'      Title:'Essential Oils of Curcuma longa L. from Bhutan'
653.      Journal:'Afr. J. Biotechnol'      Year:'2012'      Volume:'11'      Page:'12921'      DOI:'10.5897/AJB12.1570'      Title:'The essential oil composition of Carthamus tinctorius L. flowers growing in Iran'
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