SEQ2FUN

BioLiP

PDB CCD ID: SQH
Number of entries in BioLiP: 2
Chemical formula: C15 H10 O6
InChI: InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H
InChIKey: ARYCMKPCDNHQCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1O)C2=CC(=O)c3ccc(O)c(O)c3O2
OpenEye OEToolkits 2.0.7c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O
Name:2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one;
3',4',7,8-Tetrahydroxyflavone
ChEMBL: CHEMBL222541
ZINC: ZINC000000057844
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).