SEQ2FUN

BioLiP

PDB CCD ID: N36
Number of entries in BioLiP: 2
Chemical formula: C9 H10 O3
InChI: InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
InChIKey: CBOQJANXLMLOSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOc1cc(C=O)ccc1O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CCOc1cc(ccc1O)C=O
Name:3-ethoxy-4-hydroxybenzaldehyde;
Ethyl vanillin
ChEMBL: CHEMBL508676
ZINC: ZINC000002567934
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).