HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound MYC

Identifiers

  • Canonical SMILES: 
    Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O
  • IUPAC name: 
    3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
  • InChi: 
    InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
  • InChiKey: 
    IKMDFBPHZNJCSN-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

5281672 CHEMBL164 DB02375

RNA-SM complexes

PDB code Deposition date Reference publication
5xi1 April 25, 2017 Khan Eshan, Tawani Arpita, Mishra Subodh Kumar, Verma Arun Kumar, Upadhyay Arun, Kumar Mohit, Sandhir Rajat, Mishra Amit, Kumar Amit. . Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington’s Disease (HD) and Spino Cerebellar Ataxia (SCAs) ACS Chemical Biology
5xi1 April 25, 2017 Khan Eshan, Tawani Arpita, Mishra Subodh Kumar, Verma Arun Kumar, Upadhyay Arun, Kumar Mohit, Sandhir Rajat, Mishra Amit, Kumar Amit. . Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington’s Disease (HD) and Spino Cerebellar Ataxia (SCAs) ACS Chemical Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 318.04 g/mol
HBA 8
HBD 6
HBA + HBD
AlogP 1.69
TPSA 151.59
RB 1

Radar chart