BioLiP

PDB

BioLiP

PDB CCD ID:

F94

Number of entries in BioLiP:

Chemical formula:

C15 H10 O4

InChI:

InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H

InChIKey:

DYARIVMCYYQNNQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O
ACDLabs 12.01	O=C1c3c(OC(=C1)c2cccc(O)c2)cc(O)cc3
CACTVS 3.370	Oc1ccc2C(=O)C=C(Oc2c1)c3cccc(O)c3

Name:

7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one;
7,3-dihydroxyflavone

ChEMBL:

CHEMBL253786

ZINC:

ZINC000000038935

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).