SEQ2FUN

BioLiP

PDB CCD ID: A1D6M
Number of entries in BioLiP: 8
Chemical formula: C15 H14 O4
InChI: InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
InChIKey: XHBZOAYMBBUURD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)CC(=O)c2ccc(cc2O)O
CACTVS 3.385COc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Name:1-[2,4-bis(oxidanyl)phenyl]-2-(4-methoxyphenyl)ethanone;
ONONETIN
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).