Nitrosporeusine B
AlkaPlorer ID: AK026945
Synonym: None
IUPAC Name: S-[(3aR,6S,6aS)-6-hydroxy-1,3-dioxo-4,5,6,6a-tetrahydrocyclopenta[c]pyrrol-3a-yl] 4-hydroxybenzenecarbothioate
Structure
SMILES: O=C(S[C@]12CC[C@H](O)[C@H]1C(O)=NC2=O)C1=CC=C(O)C=C1
InChI: InChI=1S/C14H13NO5S/c16-8-3-1-7(2-4-8)12(19)21-14-6-5-9(17)10(14)11(18)15-13(14)20/h1-4,9-10,16-17H,5-6H2,(H,15,18,20)/t9-,10-,14+/m0/s1
InChIKey: NVPUUGMGKVACBE-PKFCDNJMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces nitrosporeus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 307.32700000000006
TPSA？: 107.19
MolLogP？: 1.272
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | IC50 | 140500.0 | nM | 10.1016/j.ejmech.2017.04.015 |
| Mus musculus | RAW264.7 | IC50 | 1383900.0 | nM | 10.1016/j.ejmech.2017.04.015 |
| Mus musculus | RAW264.7 | Ratio IC50 | 9.85 | None | 10.1016/j.ejmech.2017.04.015 |
| None | Unchecked | Activity | 30.9 | % | 10.1016/j.ejmech.2017.04.015 |
| None | Unchecked | EC50 | 113000.0 | nM | 10.1016/j.ejmech.2017.04.015 |