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ScientificNameLabel
solanone
PHCD compound ID : 2384
Chemical Names :
solanone
Molecular Formula : C13H22O1
Molecular Weight : 194.167065
More Details :
Names & Synonyms: (5S,6E)-5-isopropyl-8-methyl-nona-6,8-dien-2-one , (5S,6E)-8-methyl-5-propan-2-yl-2-nona-6,8-dienone , (5S,6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-one , (5S,6E)-8-methyl-5-propan-2-yl-nona-6,8-dien-2-one
Smiles: CC(=O)CC[C@@H](C(C)C)/C=C/C(=C)C
InChi : InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6+/t13-/m0/s1
InChi Key : InChIKey=PQDRXUSSKFWCFA-CFNZNRNTSA-N
PubChem ID : 6451337
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.368172
Hydrogen bond donor count : 0 Electric dipole moment : 2.153
XLogP : 4.446 VDW volume : 234.285109
Molecular weight : 194.167065 HOMO-LUMO gap : 9.832000
Herb list :
Refrences & Litretures:
  
265.      Journal:'J. Agric. Food Chem'      Year:'1988'      Volume:'36'      Page:'295'      DOI:''      Title:'Green Leaf Headspace Volatiles from Nicotiana tabacum Lines of Different Trichome Morphology'
307.      Journal:'EJEAFChe'      Year:'2010'      Volume:'9'      Page:'1074'      DOI:''      Title:'ANTIBACTERIAL ACTIVITY AND CHEMICAL COMPOSITION OF THE ESSENTIAL OIL FROM FLOWERS OF NERIUM OLEANDER'
870.      Journal:'International Journal of Food Studies'      Year:'2020'      Volume:'9'      Page:'146'      DOI:'10.7455/ijfs/9.1.2020.a2'      Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
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