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3,3'-Di-O-methylellagic acid
PHCD compound ID : 4400
Chemical Names :
3,3'-Di-O-methylellagic acid
Molecular Formula : C16H10O8
Molecular Weight : 330.037567
More Details :
Names & Synonyms:
Smiles: COc1c(O)cc2c3c1oc(=O)c1c3c(oc2=O)c(c(c1)O)OC
InChi : InChI=1S/C16H10O8/c1-21-11-7(17)3-5-9-10-6(15(19)23-13(9)11)4-8(18)12(22-2)14(10)24-16(5)20/h3-4,17-18H,1-2H3
InChi Key : InChIKey=KLAGYIBJNXLDTL-UHFFFAOYSA-N
PubChem ID : 5488919
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 9.065782
Hydrogen bond donor count : 2 Electric dipole moment : 4.132
XLogP : 1.15 VDW volume : 263.296522
Molecular weight : 330.037567 HOMO-LUMO gap : 7.488000
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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