BioLiP

PDB

BioLiP

PDB CCD ID:

9RJ

Number of entries in BioLiP:

Chemical formula:

C18 H14 O2

InChI:

InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+

InChIKey:

XOIWJLBRXWVWJJ-CSKARUKUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(C=Cc2cccc3ccccc23)cc1O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cccc2C=Cc3ccc(c(c3)O)O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cccc2/C=C/c3ccc(c(c3)O)O
CACTVS 3.385	Oc1ccc(\C=C\c2cccc3ccccc23)cc1O

Name:

4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol

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).