[(2R)-1-acetamido-3-[[(3Z,19Z)-22-[[(2S)-3-acetamido-2-acetyloxypropyl]-acetylamino]docosa-3,19-dienyl]-acetylamino]propan-2-yl] acetate
| Internal ID | fe1b2874-1f7e-484a-a9e2-8f24c7ce259a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | [(2S)-1-acetamido-3-[[(3Z,19Z)-22-[[(2R)-3-acetamido-2-acetyloxypropyl]-acetylamino]docosa-3,19-dienyl]-acetylamino]propan-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H70N4O8/c1-33(45)41-29-39(51-37(5)49)31-43(35(3)47)27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-44(36(4)48)32-40(52-38(6)50)30-42-34(2)46/h21-24,39-40H,7-20,25-32H2,1-6H3,(H,41,45)(H,42,46)/b23-21-,24-22-/t39-,40+ |
| InChI Key | VNIFANBKXSABCQ-DTGOVPBRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H70N4O8 |
| Molecular Weight | 735.00 g/mol |
| Exact Mass | 734.51936520 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of [(2R)-1-acetamido-3-[[(3Z,19Z)-22-[[(2S)-3-acetamido-2-acetyloxypropyl]-acetylamino]docosa-3,19-dienyl]-acetylamino]propan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/677b84f0-84c7-11ee-8428-9977a7b18a27.jpg "2D Structure of [(2R)-1-acetamido-3-[[(3Z,19Z)-22-[[(2S)-3-acetamido-2-acetyloxypropyl]-acetylamino]docosa-3,19-dienyl]-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.55% | 98.95% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 96.38% | 95.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.90% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.63% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.66% | 97.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.88% | 97.21% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 90.77% | 92.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.24% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.48% | 95.17% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.96% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.64% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.50% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.07% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.09% | 91.11% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.37% | 85.31% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.07% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.64% | 91.19% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.64% | 89.34% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.52% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.11% | 93.56% |
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 | 163050588 |
| LOTUS | LTS0070785 |
| wikiData | Q105289631 |