SEQ2FUN

BioLiP

PDB CCD ID: T83
Number of entries in BioLiP: 20
Chemical formula: C10 H8 O4
InChI: InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKey: RODXRVNMMDRFIK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		COc1cc2C=CC(=O)Oc2cc1O
OpenEye OEToolkits 2.0.7COc1cc2c(cc1O)OC(=O)C=C2
Name:7-hydroxy-6-methoxy-2H-1-benzopyran-2-one
ChEMBL: CHEMBL71851
ZINC: ZINC000000057733
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).