SEQ2FUN

BioLiP

PDB CCD ID: B7S
Number of entries in BioLiP: 1
Chemical formula: C9 H6 O4
InChI: InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H
InChIKey: NYCXYKOXLNBYID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1(C=COc2c1c(cc(c2)O)O)=O
OpenEye OEToolkits 2.0.6c1c(cc2c(c1O)C(=O)C=CO2)O
CACTVS 3.385Oc1cc(O)c2C(=O)C=COc2c1
Name:5,7-dihydroxy-4H-1-benzopyran-4-one
ChEMBL: CHEMBL3604316
ZINC: ZINC000006119185
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).