SEQ2FUN

BioLiP

PDB CCD ID: A1L8C
Number of entries in BioLiP: 2
Chemical formula: C9 H6 O4
InChI: InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
InChIKey: ATEFPOUAMCWAQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c2c1C=CC(=O)O2)O)O
CACTVS 3.385Oc1ccc2C=CC(=O)Oc2c1O
Name:7,8-bis(oxidanyl)chromen-2-one;
daphnetin
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).