(+)-Kifunensine
AlkaPlorer ID: AK007301
Synonym: 'FR 900494', 'Kifunensine'
IUPAC Name: (5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,3-dione
Structure
SMILES: O=C1N[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)N2C1=O
InChI: InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1
InChIKey: OIURYJWYVIAOCW-PQMKYFCFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 232.192
TPSA？: 130.33
MolLogP？: -4.271899999999996
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacteroides thetaiotaomicron | GH92 alpha-mannosidase | Ki | 140000.0 | nM | 10.1038/nchembio.278 |
| Bacteroides thetaiotaomicron | GH92 alpha-mannosidase | Ki | 230000.0 | nM | 10.1038/nchembio.278 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -6.81 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -4.29 | % | 10.6019/CHEMBL4808148 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 13.83 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -8.51 | % | 10.21203/rs.3.rs-23951/v1 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.16 | % | 10.6019/CHEMBL4495565 |
| None | Unchecked | Inhibition | 13.0 | % | 10.1016/j.bmc.2020.115492 |
| None | Unchecked | Inhibition | 266.0 | % | 10.1016/j.bmc.2020.115492 |
| None | Unchecked | Inhibition | 315.0 | % | 10.1016/j.bmc.2020.115492 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmc.2020.115492 |