SEQ2FUN

BioLiP

PDB CCD ID: 6Y0
Number of entries in BioLiP: 8
Chemical formula: C13 H14 O4
InChI: InChI=1S/C13H14O4/c1-2-3-4-8-7-11(15)17-13-9(8)5-6-10(14)12(13)16/h5-7,14,16H,2-4H2,1H3
InChIKey: GDGBIWNBPUQGGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CCCCC1=CC(=O)Oc2c1ccc(c2O)O
CACTVS 3.385CCCCC1=CC(=O)Oc2c(O)c(O)ccc12
Name:4-butyl-7,8-bis(oxidanyl)chromen-2-one
ZINC: ZINC000002865681
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).