Allyl propyl sulfide
| Internal ID | 14da1d45-c1f3-4c9a-a023-b608e0479218 |
| Taxonomy | Organosulfur compounds > Allyl sulfur compounds |
| IUPAC Name | 1-prop-2-enylsulfanylpropane |
| SMILES (Canonical) | CCCSCC=C |
| SMILES (Isomeric) | CCCSCC=C |
| InChI | InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3 |
| InChI Key | JMLIYQJQKZYHDQ-UHFFFAOYSA-N |
| Popularity | 14 references in papers |
| Molecular Formula | C6H12S |
| Molecular Weight | 116.23 g/mol |
| Exact Mass | 116.06597156 g/mol |
| Topological Polar Surface Area (TPSA) | 25.30 Ų |
| XlogP | 2.40 |
| 27817-67-0 |
| Allyl n-propyl sulfide |
| 3-(Propylthio)propene |
| 1-prop-2-enylsulfanylpropane |
| 1-Propene, 3-(propylthio)- |
| 6038AN0CTJ |
| NSC-164926 |
| Propyl allyl sulfide |
| Allylpropyl sulfide |
| Sulfide, allyl propyl |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 88.15% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.15% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.82% | 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.
| Allium ampeloprasum |
| Allium cepa |
| Allium sativum |
| PubChem | 98781 |
| LOTUS | LTS0218893 |
| wikiData | Q27263145 |