BioLiP

PDB

BioLiP

PDB CCD ID:

369

Number of entries in BioLiP:

Chemical formula:

C23 H18 O4

InChI:

InChI=1S/C23H18O4/c1-14-11-16-13-19(26)7-10-21(16)23(27-20-8-5-17(24)6-9-20)22(14)15-3-2-4-18(25)12-15/h2-13,24-26H,1H3

InChIKey:

OKUBOIRIRQHVSM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O
CACTVS 3.341	Cc1cc2cc(O)ccc2c(Oc3ccc(O)cc3)c1c4cccc(O)c4
ACDLabs 10.04	O(c2c(c1cccc(O)c1)c(cc3c2ccc(O)c3)C)c4ccc(O)cc4

Name:

5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol

ZINC:

ZINC000033360190

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).