SEQ2FUN

BioLiP

PDB CCD ID: N9N
Number of entries in BioLiP: 10
Chemical formula: C13 H10 O5
InChI: InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H
InChIKey: ZRDYULMDEGRWRC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O
CACTVS 3.385Oc1ccc(cc1)C(=O)c2ccc(O)c(O)c2O
Name:(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone
ChEMBL: CHEMBL3182152
ZINC: ZINC000000507420
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).