SEQ2FUN

BioLiP

PDB CCD ID: CHZ
Number of entries in BioLiP: 1
Chemical formula: C14 H8 O4
InChI: InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
InChIKey: QBPFLULOKWLNNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O
ACDLabs 10.04O=C2c1cccc(O)c1C(=O)c3c2cccc3O
Name:1,8-dihydroxyanthracene-9,10-dione;
Chrysazin
ChEMBL: CHEMBL53418
DrugBank: DB04816
ZINC: ZINC000003860369
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).