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BioLiP Library

PDB CCD ID: A63
Number of entries in BioLiP: 2
Chemical formula: C16 H12 O3
InChI: InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKey: OMICQBVLCVRFGN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		COc1ccc(cc1)C2=CC(=O)c3ccccc3O2
ACDLabs 12.01O=C1c3c(OC(=C1)c2ccc(OC)cc2)cccc3
Name:2-(4-methoxyphenyl)-4H-chromen-4-one
ChEMBL: CHEMBL16312
ZINC: ZINC000000057689
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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