BioLiP

PDB

BioLiP

PDB CCD ID:

X8W

Number of entries in BioLiP:

Chemical formula:

C15 H12 O5

InChI:

InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H

InChIKey:

YQHMWTPYORBCMF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(cc1)\C=C/C(=O)c2c(O)cc(O)cc2O
ACDLabs 12.01	O=C(c1c(O)cc(O)cc1O)\C=C\c2ccc(O)cc2
OpenEye OEToolkits 1.7.6	c1cc(ccc1C=CC(=O)c2c(cc(cc2O)O)O)O
CACTVS 3.385	Oc1ccc(cc1)C=CC(=O)c2c(O)cc(O)cc2O
OpenEye OEToolkits 1.7.6	c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O

Name:

(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one;
NARINGENIN CHALCONE

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).