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HIT100062876
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HIT100062876
  • HIT ID:HIT100062876
  • Cas No:476664;476-66-4
  • Common Name:Ellagic acid
  • alias:Gallogen, Elagostasine
  • IUPAC:6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
    IUPAC:6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
  • InChIKey:AFSDNFLWKVMVRB-UHFFFAOYSA-N
  • Molecular Formula:C14H6O8
  • Molecular Weight:302.194
  • Hydrogen Bond Donor (HBD):4
  • Hydrogen Bond Acceptor (HBA):8
  • LogP:0.376
  • SMILES:Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
    SMILES:Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
  • Ellagic acid (Gallogen), a thickened tetracyclic natural product, is a potent CK2 inhibitor (IC50=40 nM; Ki=20 nM) with ATP-competitive properties. Ellagic acid is an antioxidant and also possesses antiproliferative activity.
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