BioLiP

PDB

BioLiP

PDB CCD ID:

XV5

Number of entries in BioLiP:

Chemical formula:

C15 H10 O5

InChI:

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

InChIKey:

VVYKSKJYFAOSBP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(O)c(cc1O)C=C2Oc3ccccc3C2=O
CACTVS 3.385	Oc1cc(O)c(cc1O)/C=C/2Oc3ccccc3C/2=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)C(=Cc3cc(c(cc3O)O)O)O2
ACDLabs 12.01	Oc1cc(/C=C2\Oc3ccccc3C2=O)c(O)cc1O

Name:

(2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one

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).