SEQ2FUN

BioLiP

PDB CCD ID: 3AV
Number of entries in BioLiP: 4
Chemical formula: C10 H8 O2
InChI: InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
InChIKey: FXFYOPQLGGEACP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1ccc2c(c1)C=CC(=O)O2
CACTVS 3.385Cc1ccc2OC(=O)C=Cc2c1
ACDLabs 12.01O=C2Oc1ccc(cc1C=C2)C
Name:6-methyl-2H-chromen-2-one
ChEMBL: CHEMBL443436
ZINC: ZINC000000057740
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).