SEQ2FUN

BioLiP

PDB CCD ID: YTP
Number of entries in BioLiP: 1
Chemical formula: C9 H10 O2
InChI: InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3
InChIKey: LXBHHIZIQVZGFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(=O)c1ccc(O)c(C)c1
OpenEye OEToolkits 1.7.0Cc1cc(ccc1O)C(=O)C
ACDLabs 12.01O=C(c1ccc(O)c(c1)C)C
Name:1-(4-hydroxy-3-methylphenyl)ethanone
ChEMBL: CHEMBL375739
ZINC: ZINC000000164888
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).