SEQ2FUN

BioLiP

PDB CCD ID: 8B6
Number of entries in BioLiP: 1
Chemical formula: C11 H6 O4
InChI: InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
InChIKey: GIJHDGJRTUSBJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1coc2c1c(c3c(c2)OC(=O)C=C3)O
CACTVS 3.385Oc1c2ccoc2cc3OC(=O)C=Cc13
Name:4-oxidanylfuro[3,2-g]chromen-7-one
ChEMBL: CHEMBL242711
ZINC: ZINC000005842977
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).