Monohexyl sulfate
| Internal ID | 346570ab-a40a-4d8d-917e-ed4b02d0d69a |
| Taxonomy | Organic acids and derivatives > Organic sulfuric acids and derivatives > Sulfuric acid esters > Sulfuric acid monoesters |
| IUPAC Name | hexyl hydrogen sulfate |
| SMILES (Canonical) | CCCCCCOS(=O)(=O)O |
| SMILES (Isomeric) | CCCCCCOS(=O)(=O)O |
| InChI | InChI=1S/C6H14O4S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H,7,8,9) |
| InChI Key | IDUWTCGPAPTSFB-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C6H14O4S |
| Molecular Weight | 182.24 g/mol |
| Exact Mass | 182.06128010 g/mol |
| Topological Polar Surface Area (TPSA) | 72.00 Ų |
| XlogP | 1.50 |
| 3233-49-6 |
| Monohexyl sulfate |
| Sulfuric acid, monohexyl ester |
| hexylsulfuric acid |
| 1-Hexanol sulfate |
| starbld0024710 |
| SCHEMBL186596 |
| CHEMBL1207929 |
| DTXSID60862868 |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.66% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.57% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.07% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.15% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.50% | 96.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.74% | 91.81% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 85.40% | 90.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.93% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.70% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.06% | 92.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.93% | 94.33% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.90% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.84% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.57% | 100.00% |
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 | 75157 |
| LOTUS | LTS0091054 |
| wikiData | Q105111552 |