BioLiP

PDB

BioLiP

PDB CCD ID:

HUL

Number of entries in BioLiP:

Chemical formula:

C16 H12 O6

InChI:

InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3

InChIKey:

IHFBPDAQLQOCBX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O
ACDLabs 12.01	O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2
CACTVS 3.385	COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3

Name:

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one;
Hispidulin

ChEMBL:

CHEMBL293776

DrugBank:

DB14008

ZINC:

ZINC000005732241

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).