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ScientificNameLabel
Brevifolin carboxylic acid
PHCD compound ID : 4421
Chemical Names :
Brevifolin carboxylic acid
Molecular Formula : C13H8O8
Molecular Weight : 292.021917
More Details :
Names & Synonyms: 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylic acid , 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c][2]benzopyran-1-carboxylic acid , 7,8,9-tris(oxidanyl)-3,5-bis(oxidanylidene)-1,2-dihydrocyclopenta[c]isochromene-1-carboxylic acid , 7,8,9-trihydroxy-3,5-diketo-1,2-dihydrocyclopent[c]isochromene-1-carboxylic acid
Smiles: OC(=O)[C@H]1CC(=O)c2c1c1c(O)c(O)c(cc1c(=O)o2)O
InChi : InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)/t3-/m0/s1
InChi Key : InChIKey=JFJWMFPFMLRLMI-VKHMYHEASA-N
PubChem ID : 9838995
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 9.207918
Hydrogen bond donor count : 4 Electric dipole moment : 6.347
XLogP : 0.014 VDW volume : 237.301485
Molecular weight : 292.021917 HOMO-LUMO gap : 7.688000
Herb list :
Refrences & Litretures:
  
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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