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ScientificNameLabel
Chrysanthenone
PHCD compound ID : 181
Chemical Names :
Chrysanthenone , Isochrysanthenone , 2-Pinene-7-one
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-7-one , 4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enone
Smiles: CC1=CC[C@H]2C(=O)[C@@H]1C2(C)C
InChi : InChI=1S/C10H14O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
InChi Key : InChIKey=IECBDTGWSQNQID-JGVFFNPUSA-N
PubChem ID : 442463
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.258614
Hydrogen bond donor count : 0 Electric dipole moment : 3.186
XLogP : 1.578 VDW volume : 160.320697
Molecular weight : 150.104465 HOMO-LUMO gap : 10.049000
Herb list :
Refrences & Litretures:
  
10.      Journal:'Journal of Chromatography A'      Year:'2005'      Volume:'1098'      Page:'14'      DOI:'10.1016/j.chroma.2005.08.054'      Title:'Hydrodistillation-headspace solvent microextraction, a new method for analysis of the essential oil components of Lavandula angustifolia Mill'
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
105.      Journal:'Natural Product Communications'      Year:'2009'      Volume:'4'      Page:'859'      DOI:''      Title:'Composition and Antibacterial Activity of Essential Oils from Leaf, Stem and Root of Chrysanthemum parthenium (L.) Bernh. from Iran'
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'
181.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'165'      DOI:'10.1002/ffj.1074'      Title:'Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India'
356.      Journal:'J. Med. Plants Res'      Year:'2011'      Volume:'5'      Page:'5999'      DOI:'10.5897/JMPR11.423'      Title:'Chemical constituents and antioxidant properties of Rosmarinus officinalis L. essential oil cultivated from South-Western Tunisia'
461.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'794'      DOI:'10.1080/0972060X.2012.10644122'      Title:'Peel Volatile Compounds of Apple (Malus domestica) and Grapefruit (Citrus Paradisi)'
903.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'646'      DOI:'10.1007/s10600-011-0020-4'      Title:'Constituent composition of essential oil from Cornus mas flowers'
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