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BioLiP

PDB CCD ID: MYU
Number of entries in BioLiP: 2
Chemical formula: C15 H10 O8
InChI: InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
InChIKey: ZVOLCUVKHLEPEV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O
CACTVS 3.341Oc1ccc(cc1O)C2=C(O)C(=O)c3c(O)c(O)c(O)cc3O2
ACDLabs 10.04O=C1c3c(O)c(O)c(O)cc3OC(=C1O)c2ccc(O)c(O)c2
Name:3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE;
2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE;
2-(3,4-DIHYDROXYPHENYL)-4H-CHROMENE-3,5,6,7-TETRAOL;
QUERCETAGETIN
ChEMBL: CHEMBL413552
ZINC: ZINC000005784821
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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