BioLiP

PDB

BioLiP

PDB CCD ID:

XE2

Number of entries in BioLiP:

Chemical formula:

C15 H10 O3

InChI:

InChI=1S/C15H10O3/c16-9-13-12-5-3-11(15-2-1-7-18-15)8-10(12)4-6-14(13)17/h1-9,17H

InChIKey:

PAWZXRDGPTWKSP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc2cc(ccc2c1C=O)c3occc3
OpenEye OEToolkits 2.0.7	c1cc(oc1)c2ccc3c(c2)ccc(c3C=O)O
ACDLabs 12.01	Oc1ccc2cc(ccc2c1C=O)c1ccco1

Name:

(6P)-6-(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).