SEQ2FUN

BioLiP

PDB CCD ID: 47X
Number of entries in BioLiP: 3
Chemical formula: C15 H10 O5
InChI: InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
InChIKey: DDKGKOOLFLYZDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O
CACTVS 3.352Oc1ccc2C(=O)C(=COc2c1)c3ccc(O)c(O)c3
Name:3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one
ChEMBL: CHEMBL13486
ZINC: ZINC000000391976
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).