SEQ2FUN

BioLiP

PDB CCD ID: IJV
Number of entries in BioLiP: 1
Chemical formula: C9 H10 O4
InChI: InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
InChIKey: KCDXJAYRVLXPFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(C=O)cc(OC)c1O
OpenEye OEToolkits 2.0.7COc1cc(cc(c1O)OC)C=O
Name:3,5-dimethoxy-4-oxidanyl-benzaldehyde;
Syringaldehyde
ChEMBL: CHEMBL225303
ZINC: ZINC000000152926
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).