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ScientificNameLabel
Ocimenone(E)
PHCD compound ID : 3365
Chemical Names :
Ocimenone(E) , (E)-Ocimenone
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: (5E)-2,6-dimethylocta-2,5,7-trien-4-one , (5E)-2,6-dimethyl-4-octa-2,5,7-trienone
Smiles: C=C/C(=C/C(=O)C=C(C)C)/C
InChi : InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7+
InChi Key : InChIKey=XUINKEIPBTYUJP-VQHVLOKHSA-N
PubChem ID : 6428431
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.623411
Hydrogen bond donor count : 0 Electric dipole moment : 1.605
XLogP : 2.398 VDW volume : 179.760697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.434000
Herb list :
Refrences & Litretures:
  
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'
745.      Journal:'J. Serb. Chem. Soc'      Year:'2011'      Volume:'76'      Page:'857'      DOI:'10.2298/JSC100830074Y'      Title:'Composition and in vitro antimicrobial activity of the essential oil of Dorema ammoniacum D. Don. fruit from Iran'
857.      Journal:'Journal of Essential Oil Research'      Year:'2009'      Volume:'21'      Page:'127'      DOI:'10.1080/10412905.2009.9700129'      Title:'The Essential Oil Composition of Froriepia subpinnata (Ledeb.) Baill'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
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