SEQ2FUN

BioLiP

PDB CCD ID: 431
Number of entries in BioLiP: 2
Chemical formula: C16 H12 O2
InChI: InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
InChIKey: OPHKKQQCOYMLPW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1c3c(OC(=C1)c2ccc(cc2)C)cccc3
CACTVS 3.370
OpenEye OEToolkits 1.7.6		Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2
Name:2-(4-methylphenyl)-4H-chromen-4-one;
4'-methylflavone
ChEMBL: CHEMBL16861
ZINC: ZINC000000057876
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).