[2-(Hexadecanoylamino)-1,3-dihydroxyoctadecan-4-yl] hydrogen sulfate
| Internal ID | 4d51fd63-2434-4c5d-a7c7-4942c16f523d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | [2-(hexadecanoylamino)-1,3-dihydroxyoctadecan-4-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H69NO7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)35-31(30-36)34(38)32(42-43(39,40)41)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34,36,38H,3-30H2,1-2H3,(H,35,37)(H,39,40,41) |
| InChI Key | UYRNDQODBVPJMD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H69NO7S |
| Molecular Weight | 636.00 g/mol |
| Exact Mass | 635.47947471 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 11.80 |
| There are no found synonyms. |
![2D Structure of [2-(Hexadecanoylamino)-1,3-dihydroxyoctadecan-4-yl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/2-hexadecanoylamino-13-dihydroxyoctadecan-4-yl-hydrogen-sulfate.jpg "2D Structure of [2-(Hexadecanoylamino)-1,3-dihydroxyoctadecan-4-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.55% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.68% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.38% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.16% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.95% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.97% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.24% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.11% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.29% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.41% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.75% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 88.49% | 94.66% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.47% | 98.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.61% | 96.90% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.79% | 96.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.71% | 92.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.54% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.30% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.82% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.78% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.72% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.08% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.81% | 97.21% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.21% | 91.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.54% | 96.47% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.22% | 92.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.66% | 100.00% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 81.01% | 94.05% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.90% | 96.38% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.90% | 82.50% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.82% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.36% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73837902 |
| LOTUS | LTS0081562 |
| wikiData | Q105281877 |