BioLiP

PDB

BioLiP

PDB CCD ID:

89U

Number of entries in BioLiP:

Chemical formula:

C22 H16 O3

InChI:

InChI=1S/C22H16O3/c1-25-21-11-10-14(13-20(21)23)12-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-13,23H,1H3

InChIKey:

MQLACMBJVPINKE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4ccccc24
CACTVS 3.385	COc1ccc(cc1O)\C=C2\c3ccccc3C(=O)c4ccccc24
OpenEye OEToolkits 2.0.6	COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4

Name:

10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one

ChEMBL:

CHEMBL116173

ZINC:

ZINC000003816587

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).