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(E)-Tagetone
PHCD compound ID : 4688
Chemical Names :
(E)-Tagetone
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (5E)-2,6-dimethylocta-5,7-dien-4-one , (5E)-2,6-dimethyl-4-octa-5,7-dienone
Smiles: C=C/C(=C/C(=O)CC(C)C)/C
InChi : InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7+
InChi Key : InChIKey=RJXKHBTYHGBOKV-VQHVLOKHSA-N
PubChem ID : 5368938
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.738455
Hydrogen bond donor count : 0 Electric dipole moment : 2.550
XLogP : 2.89 VDW volume : 182.397156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.552000
Herb list :
Refrences & Litretures:
  
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'
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