SEQ2FUN

BioLiP

PDB CCD ID: 53C
Number of entries in BioLiP: 3
Chemical formula: C8 H8 O2
InChI: InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
InChIKey: LUJMEECXHPYQOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(=O)c1cccc(c1)O
CACTVS 3.385CC(=O)c1cccc(O)c1
ACDLabs 12.01CC(=O)c1cc(ccc1)O
Name:1-(3-hydroxyphenyl)ethanone
ChEMBL: CHEMBL404719
ZINC: ZINC000000157435
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).