BioLiP

PDB

BioLiP

PDB CCD ID:

AGI

Number of entries in BioLiP:

Chemical formula:

C15 H10 O5

InChI:

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

InChIKey:

KZNIFHPLKGYRTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 1.5.0	c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
ACDLabs 10.04	O=C1c3c(OC(=C1)c2ccc(O)cc2)cc(O)cc3O

Name:

5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one;
Apigenin

ChEMBL:

CHEMBL28

DrugBank:

DB07352

ZINC:

ZINC000003871576

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).