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BioLiP

PDB CCD ID: DFV
Number of entries in BioLiP: 13
Chemical formula: C15 H12 O4
InChI: InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
InChIKey: FURUXTVZLHCCNA-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C2CC(=O)c3ccc(cc3O2)O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O
CACTVS 3.341Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2
CACTVS 3.341Oc1ccc(cc1)[CH]2CC(=O)c3ccc(O)cc3O2
ACDLabs 10.04O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3
Name:7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE;
5-DEOXYFLAVANONE
ChEMBL: CHEMBL252642
DrugBank: DB03601
ZINC: ZINC000000985403
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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