BioLiP

PDB

BioLiP

PDB CCD ID:

ZJ0

Number of entries in BioLiP:

Chemical formula:

C18 H28 O3

InChI:

InChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-11-18(19)15-12-16(20-2)14-17(13-15)21-3/h12-14H,4-11H2,1-3H3

InChIKey:

YVSIRBTWQSGOBH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCCCCCCC(=O)c1cc(cc(c1)OC)OC
CACTVS 3.370	CCCCCCCCCC(=O)c1cc(OC)cc(OC)c1
ACDLabs 12.01	O=C(c1cc(OC)cc(OC)c1)CCCCCCCCC

Name:

1-(3,5-dimethoxyphenyl)decan-1-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).