(2,27-Diacetamido-26-acetyloxy-18-oxooctacosan-3-yl) acetate
| Internal ID | 929c8c7d-af1f-4bd4-8ef7-162d1afeeb73 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | (2,27-diacetamido-26-acetyloxy-18-oxooctacosan-3-yl) acetate |
| SMILES (Canonical) | CC(C(CCCCCCCCCCCCCCC(=O)CCCCCCCC(C(C)NC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C |
| SMILES (Isomeric) | CC(C(CCCCCCCCCCCCCCC(=O)CCCCCCCC(C(C)NC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C |
| InChI | InChI=1S/C36H66N2O7/c1-28(37-30(3)39)35(44-32(5)41)26-22-18-14-12-10-8-7-9-11-13-16-20-24-34(43)25-21-17-15-19-23-27-36(45-33(6)42)29(2)38-31(4)40/h28-29,35-36H,7-27H2,1-6H3,(H,37,39)(H,38,40) |
| InChI Key | MNBLIGIQPDVQBC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H66N2O7 |
| Molecular Weight | 638.90 g/mol |
| Exact Mass | 638.48700245 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
| 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 | 99.74% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.20% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.51% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.87% | 99.17% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 93.62% | 95.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.47% | 95.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.44% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.92% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.96% | 94.45% |
| CHEMBL1865 | Q9UBN7 | Histone deacetylase 6 | 88.81% | 97.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.54% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.99% | 97.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.32% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.14% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.26% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.28% | 89.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.18% | 94.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.59% | 91.19% |
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.
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| There are no matching plants. |
| PubChem | 15625337 |
| LOTUS | LTS0096193 |
| wikiData | Q105168250 |