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BioLiP

PDB CCD ID: 3WL
Number of entries in BioLiP: 12
Chemical formula: C15 H10 O5
InChI: InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
InChIKey: FXNFHKRTJBSTCS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
CACTVS 3.385Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3
ACDLabs 12.01O=C1c3c(O)c(O)c(O)cc3OC(=C1)c2ccccc2
Name:5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one;
Baicalein
ChEMBL: CHEMBL8260
DrugBank: DB16101
ZINC: ZINC000003871633
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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