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ScientificNameLabel
umbellulone
PHCD compound ID : 1275
Chemical Names :
umbellulone , 3-Thujene-2-one , 3-Thujen-2-one
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 1-isopropyl-4-methyl-bicyclo[3.1.0]hex-3-en-2-one , 4-methyl-1-propan-2-yl-2-bicyclo[3.1.0]hex-3-enone , 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one , 4-methyl-1-propan-2-yl-bicyclo[3.1.0]hex-3-en-2-one
Smiles: CC1=CC(=O)[C@]2([C@@H]1C2)C(C)C
InChi : InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3/t8-,10+/m1/s1
InChi Key : InChIKey=LTTVJAQLCIHAFV-SCZZXKLOSA-N
PubChem ID : 91195
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.837686
Hydrogen bond donor count : 0 Electric dipole moment : 3.966
XLogP : 1.465 VDW volume : 160.320697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.600000
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'
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'
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
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'
896.      Journal:'Journal of Essential Oil Research'      Year:'2002'      Volume:'14'      Page:'128'      DOI:'10.1080/10412905.2002.9699795'      Title:'The Composition of the Root Oil of Salvadora persica L'
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