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ScientificNameLabel
3,3',4'-Tri-Omethylellagic acid
PHCD compound ID : 4401
Chemical Names :
3,3',4'-Tri-O-methylellagic acid , 3,3',4'-Tri-Omethylellagic acid
Molecular Formula : C17H12O8
Molecular Weight : 344.053217
More Details :
Names & Synonyms:
Smiles: COc1c(OC)cc2c3c1oc(=O)c1c3c(oc2=O)c(c(c1)O)OC
InChi : InChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3
InChi Key : InChIKey=LXEQIOGTMDLLEC-UHFFFAOYSA-N
PubChem ID : 5281860
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.929691
Hydrogen bond donor count : 1 Electric dipole moment : 4.856
XLogP : 1.471 VDW volume : 280.592507
Molecular weight : 344.053217 HOMO-LUMO gap : 7.436000
Herb list :
Refrences & Litretures:
  
655.      Journal:'BioMed Research International'      Year:'2014'      Volume:''      Page:'686921'      DOI:'10.1155/2014/686921'      Title:'Pomegranate Fruit as a Rich Source of Biologically Active Compounds'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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