Allyl trans-1-propenethiosulfinate
| Internal ID | 901ab8aa-3a2d-4bba-be4f-bb2912904c7e |
| Taxonomy | Organosulfur compounds |
| IUPAC Name | prop-2-enoxy-[(E)-prop-1-enyl]-sulfanylidene-lambda4-sulfane |
| SMILES (Canonical) | CC=CS(=S)OCC=C |
| SMILES (Isomeric) | C/C=C/S(=S)OCC=C |
| InChI | InChI=1S/C6H10OS2/c1-3-5-7-9(8)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+ |
| InChI Key | JLTIYWMVKXVVIY-GQCTYLIASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C6H10OS2 |
| Molecular Weight | 162.30 g/mol |
| Exact Mass | 162.01730729 g/mol |
| Topological Polar Surface Area (TPSA) | 60.50 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 89.34% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.77% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.58% | 94.73% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.34% | 87.45% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.94% | 94.45% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.13% | 80.78% |
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.
| Allium sativum |
| PubChem | 129826834 |
| LOTUS | LTS0072906 |
| wikiData | Q105131073 |