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(Z)-beta-Damascenone
PHCD compound ID : 5352
Chemical Names :
(Z)-beta-Damascenone
Molecular Formula : C13H18O1
Molecular Weight : 190.135765
More Details :
Names & Synonyms: (Z)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one , (Z)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)-2-buten-1-one , (Z)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
Smiles: C/C=C\C(=O)C1=C(C)C=CCC1(C)C
InChi : InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5-
InChi Key : InChIKey=POIARNZEYGURDG-ALCCZGGFSA-N
PubChem ID : 12309006
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.916310
Hydrogen bond donor count : 0 Electric dipole moment : 2.310
XLogP : 3.407 VDW volume : 219.292192
Molecular weight : 190.135765 HOMO-LUMO gap : 9.027000
Herb list :
Refrences & Litretures:
  
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
899.      Journal:'Biochemical Systematics and Ecology'      Year:'2008'      Volume:'36'      Page:'360'      DOI:'10.1016/j.bse.2007.12.003'      Title:'Antimicrobial and insecticidal activities of essential oil isolated from Turkish Salvia hydrangea DC. ex Benth'
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