HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 3J6

Identifiers

  • Canonical SMILES: 
    CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O)C1=O
  • IUPAC name: 
    (3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
  • InChi: 
    InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
  • InChiKey: 
    LINOMUASTDIRTM-QGRHZQQGSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

40024 CHEMBL513300

RNA-SM complexes

PDB code Deposition date Reference publication
4u53 July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature
4u53 July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 296.13 g/mol
HBA 6
HBD 3
HBA + HBD
AlogP -0.84
TPSA 99.52
RB 1

Radar chart