BioLiP

PDB

BioLiP

PDB CCD ID:

A1L1Z

Number of entries in BioLiP:

Chemical formula:

C15 H10 O7

InChI:

InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H

InChIKey:

ZDOTZEDNGNPOEW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C2=C(C(=O)c3c(cc(c(c3O2)O)O)O)O)O
CACTVS 3.385	Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)c(O)c3O2

Name:

Herbacetin;
2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one

ChEMBL:

CHEMBL611029

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).