BioLiP

PDB

BioLiP

PDB CCD ID:

7FJ

Number of entries in BioLiP:

Chemical formula:

C22 H18 O2

InChI:

InChI=1S/C22H18O2/c23-20-9-5-15(6-10-20)22(16-7-11-21(24)12-8-16)19-13-17-3-1-2-4-18(17)14-19/h1-12,23-24H,13-14H2

InChIKey:

GYIQBNATKDEJGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(cc1)C(=C2Cc3ccccc3C2)c4ccc(O)cc4
ACDLabs 12.01	C1/C(Cc2c1cccc2)=C(/c3ccc(cc3)O)c4ccc(cc4)O
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2

Name:

4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol

ZINC:

ZINC000584905375

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).