BioLiP

PDB

BioLiP

PDB CCD ID:

PV4

Number of entries in BioLiP:

Chemical formula:

C15 H16 O2

InChI:

InChI=1S/C15H16O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3

InChIKey:

JOZACDNAOCTHDN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCc1ccc(Oc2ccccc2)c(O)c1
ACDLabs 12.01	O(c1ccccc1)c2ccc(cc2O)CCC
OpenEye OEToolkits 1.9.2	CCCc1ccc(c(c1)O)Oc2ccccc2

Name:

2-phenoxy-5-propyl-phenol

ZINC:

ZINC000034962079

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).