SEQ2FUN

BioLiP

PDB CCD ID: B0E
Number of entries in BioLiP: 1
Chemical formula: C13 H8 O4
InChI: InChI=1S/C13H8O4/c14-7-5-10(15)12-8-3-1-2-4-9(8)13(16)17-11(12)6-7/h1-6,14-15H
InChIKey: VLXAGAKGJMXVQF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(O)c2c(OC(=O)c3ccccc23)c1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)-c3c(cc(cc3OC2=O)O)O
Name:1,3-bis(oxidanyl)benzo[c]chromen-6-one
ChEMBL: CHEMBL4472996
ZINC: ZINC000005731721
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).