BioLiP

PDB

BioLiP

PDB CCD ID:

3WL

Number of entries in BioLiP:

Chemical formula:

C15 H10 O5

InChI:

InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H

InChIKey:

FXNFHKRTJBSTCS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
CACTVS 3.385	Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3
ACDLabs 12.01	O=C1c3c(O)c(O)c(O)cc3OC(=C1)c2ccccc2

Name:

5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one;
Baicalein

ChEMBL:

CHEMBL8260

DrugBank:

DB16101

ZINC:

ZINC000003871633

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).