BioLiP

PDB

BioLiP

PDB CCD ID:

XIK

Number of entries in BioLiP:

Chemical formula:

C9 H10 O3

InChI:

InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3

InChIKey:

WJUFSDZVCOTFON-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1OC)C=O
ACDLabs 12.01	COc1cc(ccc1OC)C=O
CACTVS 3.385	COc1ccc(C=O)cc1OC

Name:

3,4-dimethoxybenzaldehyde

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).