[1-Acetamido-3-[24-[(3-acetamido-2-acetyloxypropyl)-acetylamino]tetracosyl-acetylamino]propan-2-yl] acetate
| Internal ID | 47fa149d-9fd0-4f32-9e19-bc958e30b3a1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | [1-acetamido-3-[24-[(3-acetamido-2-acetyloxypropyl)-acetylamino]tetracosyl-acetylamino]propan-2-yl] acetate |
| SMILES (Canonical) | CC(=O)NCC(CN(CCCCCCCCCCCCCCCCCCCCCCCCN(CC(CNC(=O)C)OC(=O)C)C(=O)C)C(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)NCC(CN(CCCCCCCCCCCCCCCCCCCCCCCCN(CC(CNC(=O)C)OC(=O)C)C(=O)C)C(=O)C)OC(=O)C |
| InChI | InChI=1S/C42H78N4O8/c1-35(47)43-31-41(53-39(5)51)33-45(37(3)49)29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-46(38(4)50)34-42(54-40(6)52)32-44-36(2)48/h41-42H,7-34H2,1-6H3,(H,43,47)(H,44,48) |
| InChI Key | ALGNEGFQLXYMAV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H78N4O8 |
| Molecular Weight | 767.10 g/mol |
| Exact Mass | 766.58196546 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 8.90 |
| There are no found synonyms. |
![2D Structure of [1-Acetamido-3-[24-[(3-acetamido-2-acetyloxypropyl)-acetylamino]tetracosyl-acetylamino]propan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/ab68e8e0-85ee-11ee-93ca-7de014241c02.jpg "2D Structure of [1-Acetamido-3-[24-[(3-acetamido-2-acetyloxypropyl)-acetylamino]tetracosyl-acetylamino]propan-2-yl] 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.04% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.85% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.80% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.02% | 97.29% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 91.89% | 95.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.63% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.08% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.21% | 97.21% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.12% | 85.31% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.45% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.34% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.09% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.74% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.13% | 91.19% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.90% | 98.59% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.48% | 91.11% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 81.28% | 92.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10700348 |
| LOTUS | LTS0129557 |
| wikiData | Q104914112 |