BioLiP

PDB

BioLiP

PDB CCD ID:

NRA

Number of entries in BioLiP:

Chemical formula:

C13 H8 O6

InChI:

InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H

InChIKey:

ZHTQCPCDXKMMLU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3
OpenEye OEToolkits 1.7.2	c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O
CACTVS 3.370	Oc1cc(O)c2C(=O)c3cc(O)c(O)cc3Oc2c1

Name:

norathyriol;
1,3,6,7-tetrahydroxy-9H-xanthen-9-one

ChEMBL:

CHEMBL187265

ZINC:

ZINC000006090922

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).