BioLiP

PDB

BioLiP

PDB CCD ID:

MYU

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O
CACTVS 3.341	Oc1ccc(cc1O)C2=C(O)C(=O)c3c(O)c(O)c(O)cc3O2
ACDLabs 10.04	O=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, 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).