SEQ2FUN

BioLiP

PDB CCD ID: EBF
Number of entries in BioLiP: 1
Chemical formula: C10 H8 O3
InChI: InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
InChIKey: LIIALPBMIOVAHH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2C=CC(=O)Oc2c1
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)OC(=O)C=C2
Name:7-methoxychromen-2-one
ChEMBL: CHEMBL49732
ZINC: ZINC000000391177
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).