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BioLiP

PDB CCD ID: FZ5
Number of entries in BioLiP: 1
Chemical formula: C23 H28 O10
InChI: InChI=1S/C23H28O10/c1-11(25)19-13(5-3-12-4-6-15(27)17(9-12)31-2)14(26)7-8-16(19)32-23-22(30)21(29)20(28)18(10-24)33-23/h4,6-9,18,20-24,26-30H,3,5,10H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
InChIKey: YRCZOJOYJCLBDV-DODNOZFWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
CACTVS 3.385COc1cc(CCc2c(O)ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c2C(C)=O)ccc1O
CACTVS 3.385COc1cc(CCc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(C)=O)ccc1O
OpenEye OEToolkits 2.0.6CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)OC3C(C(C(C(O3)CO)O)O)O
Name:Scorzodihydrostilbene A
ChEMBL: CHEMBL562562
ZINC: ZINC000084336642
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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