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ScientificNameLabel
(Z)-tagetone
PHCD compound ID : 2554
Chemical Names :
Trans-tagetone , (Z)-tagetone , cis-tagetone
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (5Z)-2,6-dimethylocta-5,7-dien-4-one , (5Z)-2,6-dimethyl-4-octa-5,7-dienone
Smiles: C=C/C(=C\C(=O)CC(C)C)/C
InChi : InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7-
InChi Key : InChIKey=RJXKHBTYHGBOKV-CLFYSBASSA-N
PubChem ID : 5368956
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.657114
Hydrogen bond donor count : 0 Electric dipole moment : 2.995
XLogP : 2.89 VDW volume : 182.397156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.543000
Herb list :
Refrences & Litretures:
  
296.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'233'      DOI:'10.3390/molecules15010233'      Title:'Determination of the Volatile Composition in Essential Oil of Descurainia sophia (L.) Webb ex Prantl (Flixweed) by Gas Chromatography/Mass Spectrometry (GC/MS)'
418.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'57'      DOI:'10.1021/jf0487351'      Title:'Antibacterial Activity of Cuminum cyminum L. and Carum carvi L. Essential Oils'
563.      Journal:'??????'      Year:'2009'      Volume:'31'      Page:'77'      DOI:''      Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
745.      Journal:'J. Serb. Chem. Soc'      Year:'2011'      Volume:'76'      Page:'857'      DOI:'10.2298/JSC100830074Y'      Title:'Composition and in vitro antimicrobial activity of the essential oil of Dorema ammoniacum D. Don. fruit from Iran'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
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