BioLiP

PDB

BioLiP

PDB CCD ID:

8KZ

Number of entries in BioLiP:

Chemical formula:

C15 H14 O3

InChI:

InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+

InChIKey:

KUWZXOMQXYWKBS-NSCUHMNNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc(cc(c1)O)/C=C/c2ccc(cc2)O
CACTVS 3.385	COc1cc(O)cc(C=Cc2ccc(O)cc2)c1
OpenEye OEToolkits 2.0.7	COc1cc(cc(c1)O)C=Cc2ccc(cc2)O
CACTVS 3.385	COc1cc(O)cc(/C=C/c2ccc(O)cc2)c1

Name:

3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol;
Pinostilbene

ChEMBL:

CHEMBL498917

ZINC:

ZINC000006483567

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).