[(2S,3S,4R)-3,4-diacetyloxy-2-[[(2R)-2-acetyloxyoctadecanoyl]amino]octadecyl] acetate
| Internal ID | 148cc6c9-1cc3-4db3-9591-d6a492b54a4d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [(2S,3S,4R)-3,4-diacetyloxy-2-[[(2R)-2-acetyloxyoctadecanoyl]amino]octadecyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H81NO9/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-42(53-38(5)48)44(50)45-40(35-51-36(3)46)43(54-39(6)49)41(52-37(4)47)33-31-29-27-25-23-20-18-16-14-12-10-8-2/h40-43H,7-35H2,1-6H3,(H,45,50)/t40-,41+,42+,43-/m0/s1 |
| InChI Key | VUURTVVNPFVWBH-IDAYOUIPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C44H81NO9 |
| Molecular Weight | 768.10 g/mol |
| Exact Mass | 767.59113316 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 14.90 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4R)-3,4-diacetyloxy-2-[[(2R)-2-acetyloxyoctadecanoyl]amino]octadecyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s4r-34-diacetyloxy-2-2r-2-acetyloxyoctadecanoylaminooctadecyl-acetate.jpg "2D Structure of [(2S,3S,4R)-3,4-diacetyloxy-2-[[(2R)-2-acetyloxyoctadecanoyl]amino]octadecyl] acetate")
| 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 | 98.19% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.11% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.83% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.72% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.64% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.36% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.40% | 90.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.92% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.36% | 91.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.26% | 93.56% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 88.15% | 90.24% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.01% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.86% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.87% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.29% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.89% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.88% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.70% | 97.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.92% | 100.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.42% | 92.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.32% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.15% | 97.21% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.08% | 91.24% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.90% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.86% | 82.69% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.86% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.65% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.50% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 15432574 |
| LOTUS | LTS0219393 |
| wikiData | Q105297447 |