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ScientificNameLabel
Coumestrol
PHCD compound ID : 4460
Chemical Names :
Coumestrol
Molecular Formula : C15H8O5
Molecular Weight : 268.037173
More Details :
Names & Synonyms: 3,9-dihydroxybenzofuro[3,2-c]chromen-6-one , 3,9-dihydroxy-6-benzofuro[3,2-c][1]benzopyranone , 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one , 3,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one
Smiles: Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O
InChi : InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChi Key : InChIKey=ZZIALNLLNHEQPJ-UHFFFAOYSA-N
PubChem ID : 5281707
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.787692
Hydrogen bond donor count : 2 Electric dipole moment : 6.393
XLogP : 1.328 VDW volume : 208.729857
Molecular weight : 268.037173 HOMO-LUMO gap : 7.485000
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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