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BioLiP

PDB CCD ID: Q97
Number of entries in BioLiP: 2
Chemical formula: C24 H24 O3
InChI: InChI=1S/C24H24O3/c1-3-23(17-5-11-20(25)12-6-17)24(18-7-13-21(26)14-8-18)19-9-15-22(16-10-19)27-4-2/h5-16,25-26H,3-4H2,1-2H3/b24-23-
InChIKey: ARCUKWDDBMOVTN-VHXPQNKSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCC)/c3ccc(cc3)O
ACDLabs 12.01O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(\c3ccc(O)cc3)CC)CC
CACTVS 3.370CCOc1ccc(cc1)C(=C(/CC)c2ccc(O)cc2)/c3ccc(O)cc3
CACTVS 3.370CCOc1ccc(cc1)C(=C(CC)c2ccc(O)cc2)c3ccc(O)cc3
OpenEye OEToolkits 1.7.0CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCC)c3ccc(cc3)O
Name:4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol
ChEMBL: CHEMBL1091658
ZINC: ZINC000049109511
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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