SEQ2FUN

BioLiP

PDB CCD ID: OKE
Number of entries in BioLiP: 3
Chemical formula: C8 H10 O3
InChI: InChI=1S/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H3
InChIKey: OSZHSESNQIMXMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc(c1O)CO
CACTVS 3.385COc1cccc(CO)c1O
Name:2-(hydroxymethyl)-6-methoxy-phenol;
o-vanillin
ChEMBL: CHEMBL3786715
ZINC: ZINC000000409349
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).