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ScientificNameLabel
cis-beta-Elemenone
PHCD compound ID : 31
Chemical Names :
cis-beta-Elemenone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (4S,5R)-4-isopropenyl-2-isopropylidene-5-methyl-5-vinyl-cyclohexanone , (4S,5R)-5-ethenyl-5-methyl-4-(1-methylethenyl)-2-propan-2-ylidene-1-cyclohexanone , (4S,5R)-5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one , (4S,5R)-5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-yl-cyclohexan-1-one
Smiles: C=C[C@@]1(C)CC(=O)C(=C(C)C)C[C@H]1C(=C)C
InChi : InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3/t13-,15-/m0/s1
InChi Key : InChIKey=ABLPGPHZENVRRH-ZFWWWQNUSA-N
PubChem ID : 12314814
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.447244
Hydrogen bond donor count : 0 Electric dipole moment : 2.876
XLogP : 3.506 VDW volume : 253.884161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.790000
Herb list :
Refrences & Litretures:
  
1.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'25'      DOI:'10.1080/0972060X.2010.10643787'      Title:'Chemical and Antimicrobial Studies of Juniperus Sabina L. and Juniperus foetidissima Willd. Essential Oils'
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'
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