BioLiP

PDB

BioLiP

PDB CCD ID:

IPJ

Number of entries in BioLiP:

Chemical formula:

C15 H12 O2

InChI:

InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+

InChIKey:

PWWCDTYUYPOAIU-DHZHZOJOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O
OpenEye OEToolkits 2.0.4	c1ccc(cc1)C(=O)C=Cc2ccc(cc2)O
CACTVS 3.385	Oc1ccc(cc1)\C=C\C(=O)c2ccccc2
CACTVS 3.385	Oc1ccc(cc1)C=CC(=O)c2ccccc2

Name:

4-hydroxy-chalcone

ChEMBL:

CHEMBL7747

ZINC:

ZINC000004090723

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).