SEQ2FUN

BioLiP

PDB CCD ID: 8CM
Number of entries in BioLiP: 4
Chemical formula: C9 H6 O3
InChI: InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H
InChIKey: DPTUTXWBBUARQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)O)OC(=O)C=C2
CACTVS 3.341Oc1cccc2C=CC(=O)Oc12
ACDLabs 10.04O=C2Oc1c(O)cccc1C=C2
Name:8-HYDROXYCOUMARIN;
8-HYDROXY-2H-CHROMENE-2-ONE
ChEMBL: CHEMBL389988
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).