Skip Navigation Links
ScientificNameLabel
Galloylpyrogallol
PHCD compound ID : 3199
Chemical Names :
Galloylpyrogallol
Molecular Formula : C13H10O7
Molecular Weight : 278.042653
More Details :
Names & Synonyms: (2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone , [2,3,4-tris(oxidanyl)phenyl]-[3,4,5-tris(oxidanyl)phenyl]methanone
Smiles: O=C(c1ccc(c(c1O)O)O)c1cc(O)c(c(c1)O)O
InChi : InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
InChi Key : InChIKey=XEDWWPGWIXPVRQ-UHFFFAOYSA-N
PubChem ID : 40399
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 7 Ionization potential : 8.813563
Hydrogen bond donor count : 6 Electric dipole moment : 4.718
XLogP : 2.659 VDW volume : 229.967717
Molecular weight : 278.042653 HOMO-LUMO gap : 8.012000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us