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BioLiP

PDB CCD ID: 57D
Number of entries in BioLiP: 4
Chemical formula: C15 H10 O4
InChI: InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
InChIKey: RTIXKCRFFJGDFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O
CACTVS 3.341Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3
ACDLabs 10.04O=C1c3c(OC(=C1)c2ccccc2)cc(O)cc3O
Name:chrysin;
5,7-dihydroxy-2-phenyl-4H-chromen-4-one
ChEMBL: CHEMBL117
DrugBank: DB15581
ZINC: ZINC000003872070
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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