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BioLiP Library

PDB CCD ID: BHF
Number of entries in BioLiP: 16
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2
CACTVS 3.341O=C1C=C(Oc2c1ccc3ccccc23)c4ccccc4
ACDLabs 10.04O=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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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