BioLiP

PDB

BioLiP

PDB CCD ID:

E9P

Number of entries in BioLiP:

Chemical formula:

C14 H14 O2

InChI:

InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3

InChIKey:

XZOPHRPAUNJURP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCc1ccc(c(c1)O)Oc2ccccc2
ACDLabs 12.01	O(c1ccccc1)c2ccc(cc2O)CC
CACTVS 3.385	CCc1ccc(Oc2ccccc2)c(O)c1

Name:

5-ETHYL-2-PHENOXYPHENOL

ZINC:

ZINC000014961100

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).