n-Butyl isopentyl disulphide
| Internal ID | 52f0a201-f017-42a4-8862-caa674145cfd |
| Taxonomy | Organosulfur compounds > Organic disulfides > Dialkyldisulfides |
| IUPAC Name | 1-(butyldisulfanyl)-3-methylbutane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H20S2/c1-4-5-7-10-11-8-6-9(2)3/h9H,4-8H2,1-3H3 |
| InChI Key | KUZHXQJLDDECCL-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C9H20S2 |
| Molecular Weight | 192.40 g/mol |
| Exact Mass | 192.10064299 g/mol |
| Topological Polar Surface Area (TPSA) | 50.60 Ų |
| XlogP | 3.80 |
| Isoamyl butyl disulfide |
| i-Amyl n-butyl disulfide |
| butyl 3-methylbutyl disulfide |
| Disulfide, butyl 3-methylbutyl |
| KUZHXQJLDDECCL-UHFFFAOYSA-N |
| 1-(Butyldisulfanyl)-3-methylbutane # |
| 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 | 95.50% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.87% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.35% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.40% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.65% | 97.29% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.28% | 87.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.87% | 92.86% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.15% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.94% | 85.94% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.33% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.30% | 98.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.46% | 99.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.94% | 91.81% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.78% | 95.34% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.48% | 96.47% |
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.
| There are no matching plants. |
| PubChem | 537732 |
| LOTUS | LTS0079263 |
| wikiData | Q105146420 |