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ScientificNameLabel
sabinaketone
PHCD compound ID : 369
Chemical Names :
Sabina ketone , sabinaketone
Molecular Formula : C9H14O1
Molecular Weight : 138.104465
More Details :
Names & Synonyms: 1-isopropylbicyclo[3.1.0]hexan-4-one , 1-propan-2-yl-4-bicyclo[3.1.0]hexanone , 1-propan-2-ylbicyclo[3.1.0]hexan-4-one
Smiles: O=C1CC[C@@]2([C@H]1C2)C(C)C
InChi : InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3/t7-,9-/m0/s1
InChi Key : InChIKey=MDDYCNAAAZKNAJ-CBAPKCEASA-N
PubChem ID : 92784
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.040742
Hydrogen bond donor count : 0 Electric dipole moment : 3.775
XLogP : 1.926 VDW volume : 145.661171
Molecular weight : 138.104465 HOMO-LUMO gap : 10.816000
Herb list :
Refrences & Litretures:
  
22.      Journal:'Z Lebensm Unters Forsch A'      Year:'1999'      Volume:'208'      Page:'212'      DOI:''      Title:'Effect of extraction techniques on the chemical composition and antioxidant activity of Eucalyptus camaldulensis var. brevirostris leaf oils'
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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'
137.      Journal:'Flavour Fragr. J'      Year:'2003'      Volume:'18'      Page:'237'      DOI:'10.1002/ffj.1215'      Title:'Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran'
138.      Journal:'Journal of Food Safety'      Year:'2014'      Volume:''      Page:'1'      DOI:'10.1111/jfs.12139'      Title:'CHEMICAL COMPOSITION, ANTIFUNGAL AND ANTIBACTERIAL ACTIVITIES OF ESSENTIAL OIL FROM LALLEMANTIA ROYLEANA (BENTH. IN WALL.) BENTH'
158.      Journal:'JOURNAL OF BIOSCIENCE AND BIOENGINEERING'      Year:'2008'      Volume:'105'      Page:'176'      DOI:'10.1263/jbb.105.176'      Title:'Mass Propagation and Essential Oil Analysis of Artemisia vulgaris'
577.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'14'      DOI:'10.1080/10412905.2007.9699217'      Title:'Essential Oil Constituents of Piper cubeba L. fils. from Indonesia'
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
851.      Journal:'J. Essent. Oil Res'      Year:'1995'      Volume:'7'      Page:'147'      DOI:'10.1080/10412905.1995.9698489'      Title:'Chemical Composition of Eucalyptus globulus Oils from the Montenegro Coast and East Coast of Spain'
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