BioLiP

PDB

BioLiP

PDB CCD ID:

J8D

Number of entries in BioLiP:

Chemical formula:

C16 H12 O6

InChI:

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

InChIKey:

MBNGWHIJMBWFHU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O
ACDLabs 12.01	COc1c(O)cc(cc1)C=3Oc2cc(O)cc(c2C(C=3)=O)O
CACTVS 3.385	COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O)cc3O2

Name:

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one;
diosmetin

ChEMBL:

CHEMBL90568

DrugBank:

DB11259

ZINC:

ZINC000005733652

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).