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BioLiP

PDB CCD ID: DDC
Number of entries in BioLiP: 1
Chemical formula: C15 H12 O3
InChI: InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1
InChIKey: SWAJPHCXKPCPQZ-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc2C(=O)C[C@H](Oc2c1)c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2CC(=O)c3ccc(cc3O2)O
CACTVS 3.341Oc1ccc2C(=O)C[CH](Oc2c1)c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O
ACDLabs 10.04O=C2c3c(OC(c1ccccc1)C2)cc(O)cc3
Name:7-HYDROXY-2-PHENYL-CHROMAN-4-ONE;
5,4'-DIDEOXYFLAVANONE
ChEMBL: CHEMBL402744
DrugBank: DB04274
ZINC: ZINC000000057920

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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