Amyl Methyl Sulfide
| Internal ID | fffc7ffd-356c-48bd-be37-eaa51dc2dfa4 |
| Taxonomy | Organosulfur compounds > Thioethers > Dialkylthioethers |
| IUPAC Name | 1-methylsulfanylpentane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C6H14S/c1-3-4-5-6-7-2/h3-6H2,1-2H3 |
| InChI Key | FOJGPFUFFHWGFQ-UHFFFAOYSA-N |
| Popularity | 22 references in papers |
| Molecular Formula | C6H14S |
| Molecular Weight | 118.24 g/mol |
| Exact Mass | 118.08162162 g/mol |
| Topological Polar Surface Area (TPSA) | 25.30 Ų |
| XlogP | 2.70 |
| 1-methylsulfanylpentane |
| RefChem:557944 |
| 672-714-6 |
| 1741-83-9 |
| Pentane, 1-(methylthio)- |
| METHYL PENTYL SULFIDE |
| 1-(Methylsulfanyl)pentane |
| n-Amyl methyl sulfide |
| Sulfide, methyl pentyl |
| 2-Thiaheptane |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.78% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.32% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.13% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.56% | 92.86% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.46% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.14% | 91.81% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.13% | 96.09% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.52% | 87.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.02% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.26% | 97.25% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.23% | 85.94% |
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.
| Brassica napus |
| PubChem | 15620 |
| LOTUS | LTS0208495 |
| wikiData | Q83039503 |