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BioLiP

PDB CCD ID: 8KZ
Number of entries in BioLiP: 5
Chemical formula: C15 H14 O3
InChI: InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+
InChIKey: KUWZXOMQXYWKBS-NSCUHMNNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(cc(c1)O)/C=C/c2ccc(cc2)O
CACTVS 3.385COc1cc(O)cc(C=Cc2ccc(O)cc2)c1
OpenEye OEToolkits 2.0.7COc1cc(cc(c1)O)C=Cc2ccc(cc2)O
CACTVS 3.385COc1cc(O)cc(/C=C/c2ccc(O)cc2)c1
Name:3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol;
Pinostilbene
ChEMBL: CHEMBL498917
ZINC: ZINC000006483567
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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