1-Cyano-8-(methylsulfinyl)heptane
| Internal ID | 94d303b6-9d92-4172-8c43-020d46734e51 |
| Taxonomy | Organosulfur compounds > Sulfoxides |
| IUPAC Name | 8-methylsulfinyloctanenitrile |
| SMILES (Canonical) | CS(=O)CCCCCCCC#N |
| SMILES (Isomeric) | CS(=O)CCCCCCCC#N |
| InChI | InChI=1S/C9H17NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3 |
| InChI Key | VRYSUGWFYFXWLB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H17NOS |
| Molecular Weight | 187.30 g/mol |
| Exact Mass | 187.10308534 g/mol |
| Topological Polar Surface Area (TPSA) | 60.10 Ų |
| XlogP | 1.20 |
| 7-MeSO-heptyl-CN |
| 8-methanesulfinyloctanenitrile |
| 8-(methanesulfinyl)octanenitrile |
| CHEBI:91154 |
| Q27163090 |
| 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 | 92.45% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.44% | 98.95% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 86.77% | 91.76% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.01% | 96.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.42% | 96.43% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.98% | 95.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.69% | 96.00% |
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 | 121232644 |
| LOTUS | LTS0100008 |
| wikiData | Q27163090 |