SEQ2FUN

BioLiP

PDB CCD ID: LKR
Number of entries in BioLiP: 2
Chemical formula: C15 H10 O7
InChI: InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
InChIKey: SOEDEYVDCDYMMH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O
OpenEye OEToolkits 2.0.7c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O
Name:3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one;
Robinetin
ChEMBL: CHEMBL170405
ZINC: ZINC000004098600
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).