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ScientificNameLabel
germacrone
PHCD compound ID : 1281
Chemical Names :
germacrone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (3E,7E)-10-isopropylidene-3,7-dimethyl-cyclodeca-3,7-dien-1-one , (3E,7E)-3,7-dimethyl-10-propan-2-ylidene-1-cyclodeca-3,7-dienone , (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one , (3E,7E)-3,7-dimethyl-10-propan-2-ylidene-cyclodeca-3,7-dien-1-one
Smiles: CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C
InChi : InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+
InChi Key : InChIKey=CAULGCQHVOVVRN-SWZPTJTJSA-N
PubChem ID : 6436348
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.041944
Hydrogen bond donor count : 0 Electric dipole moment : 2.659
XLogP : 3.364 VDW volume : 253.884161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.685000
Herb list :
Refrences & Litretures:
  
136.      Journal:'J. Essent. Oil Res'      Year:'2006'      Volume:'18'      Page:'164'      DOI:'10.1080/10412905.2006.9699055'      Title:'Essential Oil Composition of Lallemantia iberica Fisch. et C.A. Mey'
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'
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