SEQ2FUN

BioLiP

PDB CCD ID: ZTA
Number of entries in BioLiP: 1
Chemical formula: C15 H10 O3
InChI: InChI=1S/C15H10O3/c16-9-13-12-8-11(15-2-1-7-18-15)4-3-10(12)5-6-14(13)17/h1-9,17H
InChIKey: VJXXMWQMXRJRKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc2ccc(cc2c1C=O)c3occc3
ACDLabs 12.01O=Cc1c2cc(ccc2ccc1O)c1ccco1
OpenEye OEToolkits 2.0.7c1cc(oc1)c2ccc3ccc(c(c3c2)C=O)O
Name:(7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
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).