3-(Butan-2-yldisulfanyl)prop-1-enyl methanesulfinate
| Internal ID | 0119175f-34da-4921-a2be-47b981b56d5c |
| Taxonomy | Organosulfur compounds > Organic disulfides > Dialkyldisulfides |
| IUPAC Name | 3-(butan-2-yldisulfanyl)prop-1-enyl methanesulfinate |
| SMILES (Canonical) | CCC(C)SSCC=COS(=O)C |
| SMILES (Isomeric) | CCC(C)SSCC=COS(=O)C |
| InChI | InChI=1S/C8H16O2S3/c1-4-8(2)12-11-7-5-6-10-13(3)9/h5-6,8H,4,7H2,1-3H3 |
| InChI Key | OQCBJFYTNWYVQJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C8H16O2S3 |
| Molecular Weight | 240.40 g/mol |
| Exact Mass | 240.03124327 g/mol |
| Topological Polar Surface Area (TPSA) | 96.10 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 91.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.30% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.20% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.43% | 94.45% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.73% | 93.67% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.80% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.55% | 89.34% |
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.
| Ferula assa-foetida |
| PubChem | 85321244 |
| LOTUS | LTS0070961 |
| wikiData | Q105196703 |