BioLiP

PDB

BioLiP

PDB CCD ID:

4EV

Number of entries in BioLiP:

Chemical formula:

C13 H10 O4

InChI:

InChI=1S/C13H10O4/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,14-16H

InChIKey:

NBKYIYGREQXQJY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(c(O)c1)C(=O)c2cccc(O)c2
OpenEye OEToolkits 1.9.2	c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O
ACDLabs 12.01	O=C(c1ccc(cc1O)O)c2cccc(c2)O

Name:

(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone

ZINC:

ZINC000078412463

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).