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ScientificNameLabel
Methyl digallate I
PHCD compound ID : 3239
Chemical Names :
Methyl digallate I
Molecular Formula : C15H12O9
Molecular Weight : 336.048132
More Details :
Names & Synonyms:
Smiles: COC(=O)c1cc(OC(=O)c2cc(O)c(c(c2)O)O)c(c(c1)O)O
InChi : InChI=1S/C15H12O9/c1-23-14(21)7-4-10(18)13(20)11(5-7)24-15(22)6-2-8(16)12(19)9(17)3-6/h2-5,16-20H,1H3
InChi Key : InChIKey=XMWQFDURKXLKMP-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 9.153668
Hydrogen bond donor count : 5 Electric dipole moment : 3.923
XLogP : 2.091 VDW volume : 279.503681
Molecular weight : 336.048132 HOMO-LUMO gap : 7.930000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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