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BioLiP

PDB CCD ID: 7O0
Number of entries in BioLiP: 1
Chemical formula: C22 H18 O3
InChI: InChI=1S/C22H18O3/c23-21-11-9-17(10-12-22(24)25)15-20(21)19-8-4-7-18(14-19)13-16-5-2-1-3-6-16/h1-12,14-15,23H,13H2,(H,24,25)/b12-10+
InChIKey: WOWLBKWVURQFNH-ZRDIBKRKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C=Cc1ccc(O)c(c1)c2cccc(Cc3ccccc3)c2
OpenEye OEToolkits 2.0.6c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)C=CC(=O)O
CACTVS 3.385OC(=O)/C=C/c1ccc(O)c(c1)c2cccc(Cc3ccccc3)c2
OpenEye OEToolkits 2.0.6c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)/C=C/C(=O)O
Name:(~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid
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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