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BioLiP

PDB CCD ID: Q0X
Number of entries in BioLiP: 6
Chemical formula: C15 H12 O7
InChI: InChI=1S/C15H12O7/c16-8-5-11(19)14(12(20)6-8)15(22)13(21)4-7-1-2-9(17)10(18)3-7/h1-6,16-21H/b13-4-
InChIKey: CUYYQQQQHCDPCX-PQMHYQBVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(O)c(c(O)c1)C(=O)C(O)=Cc2ccc(O)c(O)c2
OpenEye OEToolkits 2.0.7c1cc(c(cc1/C=C(/C(=O)c2c(cc(cc2O)O)O)\O)O)O
CACTVS 3.385Oc1cc(O)c(c(O)c1)C(=O)/C(O)=C/c2ccc(O)c(O)c2
OpenEye OEToolkits 2.0.7c1cc(c(cc1C=C(C(=O)c2c(cc(cc2O)O)O)O)O)O
Name:(Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one;
taxifolin chalcone
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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