BioLiP

PDB

BioLiP

PDB CCD ID:

A1L2C

Number of entries in BioLiP:

Chemical formula:

C10 H8 O4

InChI:

InChI=1S/C10H8O4/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,11-12H,5H2

InChIKey:

IWPNSXBCZANXBC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)OC(=O)C=C2CO
CACTVS 3.385	OCC1=CC(=O)Oc2cc(O)ccc12

Name:

4-(hydroxymethyl)-7-oxidanyl-chromen-2-one

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).