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BioLiP

PDB CCD ID: 16S
Number of entries in BioLiP: 2
Chemical formula: C15 H10 O4
InChI: InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
InChIKey: SRNPMQHYWVKBAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1ccc(cc1O)C2=CC(=O)c3ccccc3O2
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O
ACDLabs 12.01O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cccc3
Name:2-(3,4-dihydroxyphenyl)-4H-chromen-4-one;
3',4'-Dihydroxyflavone
ChEMBL: CHEMBL222556
ZINC: ZINC000000057659
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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