SEQ2FUN

BioLiP

PDB CCD ID: V9L
Number of entries in BioLiP: 2
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
InChIKey: JJVNINGBHGBWJH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc(C=O)c1O
OpenEye OEToolkits 2.0.7COc1cccc(c1O)C=O
Name:ortho-vanillin;
3-methoxy-2-oxidanyl-benzaldehyde;
2-hydroxy-3-methoxybenzaldehyde
ChEMBL: CHEMBL13859
ZINC: ZINC000000096615
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).