BioLiP

PDB

BioLiP

PDB CCD ID:

15W

Number of entries in BioLiP:

Chemical formula:

C16 H12 O4

InChI:

InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3

InChIKey:

SQVXWIUVAILQRH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O
CACTVS 3.370	COc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2
ACDLabs 12.01	O=C1c3c(OC(=C1)c2ccc(OC)cc2)cc(O)cc3

Name:

7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one;
7-hydroxy-4'-methoxyflavone

ChEMBL:

CHEMBL16751

ZINC:

ZINC000005733557

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).