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ScientificNameLabel
Davanone
PHCD compound ID : 1487
Chemical Names :
Davanone
Molecular Formula : C15H24O2
Molecular Weight : 236.17763
More Details :
Names & Synonyms: (2S)-6-methyl-2-[(2S,5R)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]hept-5-en-3-one , (2S)-2-[(2S,5R)-5-ethenyl-5-methyl-2-oxolanyl]-6-methyl-5-hepten-3-one , (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one , (2S)-2-[(2S,5R)-5-ethenyl-5-methyl-oxolan-2-yl]-6-methyl-hept-5-en-3-one
Smiles: C=C[C@@]1(C)CC[C@H](O1)[C@@H](C(=O)CC=C(C)C)C
InChi : InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12-,14+,15+/m1/s1
InChi Key : InChIKey=FJKKZNIYYVEYOL-SNPRPXQTSA-N
PubChem ID : 88556
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.957602
Hydrogen bond donor count : 0 Electric dipole moment : 3.938
XLogP : 2.72 VDW volume : 265.310847
Molecular weight : 236.17763 HOMO-LUMO gap : 9.858000
Herb list :
Refrences & Litretures:
  
159.      Journal:'CHEMIJA'      Year:'2006'      Volume:'17'      Page:'12'      DOI:''      Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
458.      Journal:'J Food Sci Technol'      Year:'2010'      Volume:'47'      Page:'598'      DOI:'10.1007/s13197-010-0109-y'      Title:'Chemical composition of Nigella sativa L. seed extracts obtained by supercritical carbon dioxide'
510.      Journal:'Int. J. Biosci'      Year:'2015'      Volume:'6'      Page:'357'      DOI:'10.12692/ijb/6.2.357-365'      Title:'Antibacterial effects and chemical composition of essential oils from Cotoneaster nummularioides pojark and Sonchus arvensis L. leaves extracts on typical food-borne pathogens'
827.      Journal:'Journal of Essential Oil Research'      Year:'2003'      Volume:'15'      Page:'193'      DOI:'10.1080/10412905.2003.9712110'      Title:'Chemical Composition of the Essential Oils of Chenopodium botrys L. from Two Different Locations in Iran'
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