BioLiP

PDB

BioLiP

PDB CCD ID:

FSE

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.370	Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
OpenEye OEToolkits 1.7.0	c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
ACDLabs 12.01	O=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, Lydia 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).