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BioLiP Library

PDB CCD ID: P5O
Number of entries in BioLiP: 3
Chemical formula: C15 H14 O4
InChI: InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
InChIKey: ANNNBEZJTNCXHY-NSCUHMNNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)/C=C/c2cc(cc(c2)O)O
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)C=Cc2cc(cc(c2)O)O
CACTVS 3.385COc1cc(ccc1O)/C=C/c2cc(O)cc(O)c2
CACTVS 3.385COc1cc(ccc1O)C=Cc2cc(O)cc(O)c2
Name:5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol
ChEMBL: CHEMBL110370
ZINC: ZINC000013541228
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)(download the PDF file).
  • 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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