[(6R,10R,14S)-2,10,14-trimethyl-17-sulfooxyheptadecan-6-yl] hydrogen sulfate
| Internal ID | c9abc376-2f46-4af2-929b-700f419a94d9 |
| Taxonomy | Organic acids and derivatives > Organic sulfuric acids and derivatives > Sulfuric acid esters > Sulfuric acid monoesters |
| IUPAC Name | [(6R,10R,14S)-2,10,14-trimethyl-17-sulfooxyheptadecan-6-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H42O8S2/c1-17(2)9-5-14-20(28-30(24,25)26)15-7-12-18(3)10-6-11-19(4)13-8-16-27-29(21,22)23/h17-20H,5-16H2,1-4H3,(H,21,22,23)(H,24,25,26)/t18-,19+,20-/m1/s1 |
| InChI Key | UAZKWAOAEPJMBR-HSALFYBXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H42O8S2 |
| Molecular Weight | 474.70 g/mol |
| Exact Mass | 474.23211064 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of [(6R,10R,14S)-2,10,14-trimethyl-17-sulfooxyheptadecan-6-yl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/6r10r14s-21014-trimethyl-17-sulfooxyheptadecan-6-yl-hydrogen-sulfate.jpg "2D Structure of [(6R,10R,14S)-2,10,14-trimethyl-17-sulfooxyheptadecan-6-yl] hydrogen sulfate")
| 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 | 91.54% | 98.95% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 89.69% | 85.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.58% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.15% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.70% | 97.29% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.06% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.92% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.57% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.25% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.30% | 90.71% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.00% | 96.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.33% | 96.38% |
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 | 163106130 |
| LOTUS | LTS0070403 |
| wikiData | Q105269147 |