BioLiP

PDB

BioLiP

PDB CCD ID:

UR0

Number of entries in BioLiP:

Chemical formula:

C19 H18 O3

InChI:

InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-14,21-22H,2,4H2/b3-1+,10-7+

InChIKey:

DWQICWYCQTTXLU-JKYUJIBQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=CCCC(=O)C=Cc2ccc(cc2)O)O
OpenEye OEToolkits 2.0.7	c1cc(ccc1/C=C/CCC(=O)/C=C/c2ccc(cc2)O)O
CACTVS 3.385	Oc1ccc(C=CCCC(=O)C=Cc2ccc(O)cc2)cc1
CACTVS 3.385	Oc1ccc(/C=C/CCC(=O)\C=C\c2ccc(O)cc2)cc1

Name:

1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one

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).