BioLiP

PDB

BioLiP

PDB CCD ID:

BHF

Number of entries in BioLiP:

Chemical formula:

C19 H12 O2

InChI:

InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H

InChIKey:

VFMMPHCGEFXGIP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2
CACTVS 3.341	O=C1C=C(Oc2c1ccc3ccccc23)c4ccccc4
ACDLabs 10.04	O=C1c4c(OC(=C1)c2ccccc2)c3ccccc3cc4

Name:

2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE;
7,8-BENZOFLAVONE;
ALPHA-NAPHTHOFLAVONE

ChEMBL:

CHEMBL283196

DrugBank:

DB07453

ZINC:

ZINC000000038933

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).