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ScientificNameLabel
Curzerenone
PHCD compound ID : 2899
Chemical Names :
Curzerenone
Molecular Formula : C15H18O2
Molecular Weight : 230.13068
More Details :
Names & Synonyms: (5R,6R)-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydrobenzofuran-4-one , (5R,6R)-6-ethenyl-3,6-dimethyl-5-(1-methylethenyl)-5,7-dihydrobenzofuran-4-one , (5R,6R)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
Smiles: C=C[C@@]1(C)Cc2occ(c2C(=O)[C@@H]1C(=C)C)C
InChi : InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3/t13-,15-/m0/s1
InChi Key : InChIKey=ZVMJXSJCBLRAPD-ZFWWWQNUSA-N
PubChem ID : 3081930
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.245604
Hydrogen bond donor count : 0 Electric dipole moment : 3.109
XLogP : 2.516 VDW volume : 236.781471
Molecular weight : 230.13068 HOMO-LUMO gap : 9.173000
Herb list :
Refrences & Litretures:
  
370.      Journal:'Asian Paicfic Journal of Tropical Biomedicine'      Year:'2012'      Volume:'2'      Page:'s695'      DOI:'10.1016/S2221-1691(12)60298-6'      Title:'Chemical composition and in vitro antioxidative potential of essential oil isolated from Curcuma longa L. leaves'
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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