BioLiP

PDB

BioLiP

PDB CCD ID:

A1ISI

Number of entries in BioLiP:

Chemical formula:

C10 H8 O3

InChI:

InChI=1S/C10H8O3/c1-12-9-4-2-3-7-8(11)5-6-13-10(7)9/h2-6H,1H3

InChIKey:

VLJQPDYLWJQNII-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cccc2c1OC=CC2=O
CACTVS 3.385	COc1cccc2C(=O)C=COc12

Name:

8-methoxychromen-4-one

ChEMBL:

CHEMBL1479583

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).