BioLiP

PDB

BioLiP

PDB CCD ID:

A0R

Number of entries in BioLiP:

Chemical formula:

C16 H14 O4

InChI:

InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+

InChIKey:

ODLVGCCGMXGMGZ-RMKNXTFCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccccc1C=CC(=O)c2ccc(cc2O)O
CACTVS 3.385	COc1ccccc1\C=C\C(=O)c2ccc(O)cc2O
CACTVS 3.385	COc1ccccc1C=CC(=O)c2ccc(O)cc2O
OpenEye OEToolkits 2.0.6	COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O

Name:

2',4'-dihydroxy-2-methoxychalcone

ChEMBL:

CHEMBL575499

ZINC:

ZINC000004252570

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).