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BioLiP

PDB CCD ID: 15Z
Number of entries in BioLiP: 2
Chemical formula: C15 H10 O5
InChI: InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H
InChIKey: PVFGJHYLIHMCQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O
ACDLabs 12.01O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3
CACTVS 3.370Oc1ccc2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3
Name:2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one;
7,3',4'-Trihydroxyflavone
ChEMBL: CHEMBL301624
ZINC: ZINC000006092199
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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