Triacsin B; 6,9-Dihydro
AlkaPlorer ID: AK316252
Synonym: 2,4,7-Undecatrienal nitrosohydrazone, Triacsin D, WS 1228B, Antibiotic WS 1228B
IUPAC Name: N-[(Z)-[(2E,4E,7E)-undeca-2,4,7-trienylidene]amino]nitrous amide
Structure
SMILES: CCC/C=C/C/C=C/C=C/C=N/N=NO
InChI: InChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)/b5-4+,8-7+,10-9+,12-11+
InChIKey: NKTGCVUIESDXPU-YLEPRARLSA-N
Reference
PubChem CID: 9576787
CAS: 76896-80-5
LOTUS: LTS0097567
SuperNatural Ⅲ: SN0248248-02
{NPAtlas: NPA021413
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 207.277
TPSA？: 57.31
MolLogP？: 3.6724000000000014
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Huh-7 | Inhibition | nan | % | 10.1016/j.ejmech.2012.02.010 |
| Rotavirus | Rotavirus | ED50 | 0.2 | uM | 10.1016/j.ejmech.2012.02.010 |
| Rotavirus | Rotavirus | Inhibition | nan | % | 10.1016/j.ejmech.2012.02.010 |
| None | ADMET | Ratio TD50/ED50 | 248.0 | None | 10.1016/j.ejmech.2012.02.010 |
| None | ADMET | TD50 | 49.6 | uM | 10.1016/j.ejmech.2012.02.010 |
| None | NON-PROTEIN TARGET | Inhibition | nan | % | 10.1016/j.bmcl.2014.01.016 |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmcl.2014.01.016 |
| None | Unchecked | EC50 | 358.0 | nM | 10.1016/j.bmcl.2014.01.016 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmcl.2014.01.016 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.ejmech.2012.02.010 |