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BioLiP

PDB CCD ID: 15W
Number of entries in BioLiP: 1
Chemical formula: C16 H12 O4
InChI: InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3
InChIKey: SQVXWIUVAILQRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O
CACTVS 3.370COc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2
ACDLabs 12.01O=C1c3c(OC(=C1)c2ccc(OC)cc2)cc(O)cc3
Name:7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one;
7-hydroxy-4'-methoxyflavone
ChEMBL: CHEMBL16751
ZINC: ZINC000005733557
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).
  • 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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