BioLiP

PDB

BioLiP

PDB CCD ID:

WHN

Number of entries in BioLiP:

Chemical formula:

C17 H14 O3

InChI:

InChI=1S/C17H14O3/c18-14-10-15(20-17(19)11-14)9-8-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,10-11,18H,8-9H2

InChIKey:

UGHZLTCNBUVNBE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC=1C=C(CCc2cccc3ccccc32)OC(=O)C=1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cccc2CCC3=CC(=CC(=O)O3)O
CACTVS 3.385	OC1=CC(=O)OC(=C1)CCc2cccc3ccccc23

Name:

4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one

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).