BioLiP

PDB

BioLiP

PDB CCD ID:

P5O

Number of entries in BioLiP:

Chemical formula:

C15 H14 O4

InChI:

InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+

InChIKey:

ANNNBEZJTNCXHY-NSCUHMNNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc(ccc1O)/C=C/c2cc(cc(c2)O)O
OpenEye OEToolkits 2.0.7	COc1cc(ccc1O)C=Cc2cc(cc(c2)O)O
CACTVS 3.385	COc1cc(ccc1O)/C=C/c2cc(O)cc(O)c2
CACTVS 3.385	COc1cc(ccc1O)C=Cc2cc(O)cc(O)c2

Name:

5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol

ChEMBL:

CHEMBL110370

ZINC:

ZINC000013541228

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).