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BioLiP

PDB CCD ID: U07
Number of entries in BioLiP: 1
Chemical formula: C18 H14 O4
InChI: InChI=1S/C18H14O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,15,19-21H/t15-/m0/s1
InChIKey: ODPMSLCGNZJREU-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@@H]1C(=C(c2ccccc2)C(=O)C(=C1c3ccccc3)O)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=C(C(=O)C(=C(C2O)O)c3ccccc3)O
ACDLabs 12.01C2(O)=C(c1ccccc1)C(C(=C(C2O)c3ccccc3)O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=C(C(=O)C(=C([C@H]2O)O)c3ccccc3)O
CACTVS 3.385O[CH]1C(=C(c2ccccc2)C(=O)C(=C1c3ccccc3)O)O
Name:(2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one
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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