BioLiP

PDB

BioLiP

PDB CCD ID:

A1L8X

Number of entries in BioLiP:

Chemical formula:

C17 H14 O7

InChI:

InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3

InChIKey:

ZSPZNFOLWQEVQJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1O)C2=C(OC)C(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)OC

Name:

3-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one

ChEMBL:

CHEMBL309263

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).