SEQ2FUN

BioLiP

PDB CCD ID: 7WQ
Number of entries in BioLiP: 2
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
InChIKey: FZHSPPYCNDYIKD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(O)c(C=O)c1
ACDLabs 12.01COc1cc(c(cc1)O)C=O
OpenEye OEToolkits 2.0.6COc1ccc(c(c1)C=O)O
Name:2-hydroxy-5-methoxybenzaldehyde
ChEMBL: CHEMBL3660371
ZINC: ZINC000001656240
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).