BioLiP

PDB

BioLiP

PDB CCD ID:

CC6

Number of entries in BioLiP:

Chemical formula:

C15 H10 O6

InChI:

InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H

InChIKey:

WCNLFPKXBGWWDS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3O)O
OpenEye OEToolkits 2.0.4	c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
ACDLabs 12.01	OC=2C(=O)c1c(O)cc(cc1OC=2c3ccccc3O)O

Name:

3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one

ChEMBL:

CHEMBL503168

ZINC:

ZINC000006095498

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).