6-(Methylthio)hexanenitrile oxide
| Internal ID | bd003556-b6fc-4fca-b8b7-7acab0c8a177 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Organic cyanides > Nitriles |
| IUPAC Name | 6-methylsulfanylhexanenitrile oxide |
| SMILES (Canonical) | CSCCCCCC#[N+][O-] |
| SMILES (Isomeric) | CSCCCCCC#[N+][O-] |
| InChI | InChI=1S/C7H13NOS/c1-10-7-5-3-2-4-6-8-9/h2-5,7H2,1H3 |
| InChI Key | XSPNTRJDTKNMDO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H13NOS |
| Molecular Weight | 159.25 g/mol |
| Exact Mass | 159.07178521 g/mol |
| Topological Polar Surface Area (TPSA) | 56.00 Ų |
| XlogP | 1.10 |
| 6-(methylthio)hexanonitrile oxide |
| CHEBI:136942 |
| 6-(methylsulfanyl)hexanenitrile oxide |
| 6-(methylsulfanyl)hexanonitrile oxide |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.43% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.01% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.23% | 95.17% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.17% | 83.57% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Arabidopsis thaliana |
| PubChem | 46173282 |
| LOTUS | LTS0241829 |
| wikiData | Q105341159 |