BioLiP

PDB

BioLiP

PDB CCD ID:

HCC

Number of entries in BioLiP:

Chemical formula:

C15 H12 O4

InChI:

InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+

InChIKey:

DXDRHHKMWQZJHT-FPYGCLRLSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(c1ccc(O)cc1O)\C=C\c2ccc(O)cc2
OpenEye OEToolkits 1.5.0	c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O
CACTVS 3.341	Oc1ccc(cc1)/C=C/C(=O)c2ccc(O)cc2O
CACTVS 3.341	Oc1ccc(cc1)C=CC(=O)c2ccc(O)cc2O

Name:

2',4,4'-TRIHYDROXYCHALCONE

ChEMBL:

CHEMBL129795

DrugBank:

DB03285

ZINC:

ZINC000003869608

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).