SEQ2FUN

BioLiP

PDB CCD ID: EKU
Number of entries in BioLiP: 2
Chemical formula: C13 H8 O6
InChI: InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
InChIKey: MPXAWSABMVLIBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O
CACTVS 3.385Oc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1
Name:1,3,5,8-tetrakis(oxidanyl)xanthen-9-one
ChEMBL: CHEMBL184574
ZINC: ZINC000006092269
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).