BioLiP

PDB

BioLiP

PDB CCD ID:

15Z

Number of entries in BioLiP:

Chemical formula:

C15 H10 O5

InChI:

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

InChIKey:

PVFGJHYLIHMCQD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O
ACDLabs 12.01	O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3
CACTVS 3.370	Oc1ccc2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3

Name:

2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one;
7,3',4'-Trihydroxyflavone

ChEMBL:

CHEMBL301624

ZINC:

ZINC000006092199

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).