BioLiP

PDB

BioLiP

PDB CCD ID:

A1L5R

Number of entries in BioLiP:

Chemical formula:

C16 H14 O5

InChI:

InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4-

InChIKey:

DRDRYGIIYOPBBZ-YWEYNIOJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1c(ccc(c1O)O)C=CC(=O)c2ccc(cc2)O
CACTVS 3.385	COc1c(O)c(O)ccc1C=CC(=O)c2ccc(O)cc2
CACTVS 3.385	COc1c(O)c(O)ccc1\C=C/C(=O)c2ccc(O)cc2

Name:

1-(4-hydroxyphenyl)-3-[2-methoxy-3,4-bis(oxidanyl)phenyl]prop-2-en-1-one;
Licochalcone B

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).