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BioLiP

PDB CCD ID: FSE
Number of entries in BioLiP: 4
Chemical formula: C15 H10 O6
InChI: InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
InChIKey: XHEFDIBZLJXQHF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
OpenEye OEToolkits 1.7.0c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
ACDLabs 12.01O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3
Name:3,7,3',4'-TETRAHYDROXYFLAVONE;
Fisetin;
2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXY-4H-CHROMEN-4-ONE
ChEMBL: CHEMBL31574
DrugBank: DB07795
ZINC: ZINC000000039111
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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