SEQ2FUN

BioLiP

PDB CCD ID: V55
Number of entries in BioLiP: 29
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1cc(C=O)ccc1O
OpenEye OEToolkits 1.5.0COc1cc(ccc1O)C=O
ACDLabs 10.04O=Cc1cc(OC)c(O)cc1
Name:4-hydroxy-3-methoxybenzaldehyde;
p-vanillin
ChEMBL: CHEMBL13883
ZINC: ZINC000002567933
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).