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BioLiP

PDB CCD ID: A0R
Number of entries in BioLiP: 1
Chemical formula: C16 H14 O4
InChI: InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+
InChIKey: ODLVGCCGMXGMGZ-RMKNXTFCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccccc1C=CC(=O)c2ccc(cc2O)O
CACTVS 3.385COc1ccccc1\C=C\C(=O)c2ccc(O)cc2O
CACTVS 3.385COc1ccccc1C=CC(=O)c2ccc(O)cc2O
OpenEye OEToolkits 2.0.6COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O
Name:2',4'-dihydroxy-2-methoxychalcone
ChEMBL: CHEMBL575499
ZINC: ZINC000004252570
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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