SEQ2FUN

BioLiP

PDB CCD ID: HX8
Number of entries in BioLiP: 2
Chemical formula: C12 H10 O2
InChI: InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
InChIKey: ZSBDGXGICLIJGD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(Oc2ccccc2)cc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)Oc2ccc(cc2)O
ACDLabs 12.01c2cccc(Oc1ccc(cc1)O)c2
Name:4-phenoxyphenol
ChEMBL: CHEMBL224318
ZINC: ZINC000000158246
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).