SEQ2FUN

BioLiP

PDB CCD ID: FT0
Number of entries in BioLiP: 4
Chemical formula: C13 H10 O3
InChI: InChI=1S/C13H10O3/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h1-9,15H
InChIKey: MYXBTODVMFBVIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Oc1cc(C=O)ccc1Oc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)Oc2ccc(cc2O)C=O
Name:3-hydroxy-4-phenoxybenzaldehyde
ChEMBL: CHEMBL240949
ZINC: ZINC000028871069
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).