4-Amino-2-(10-methylundecanoylamino)-4-oxobutanoic acid
| Internal ID | 408e632e-1037-4ddc-a14c-cd947d1f3724 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Asparagine and derivatives |
| IUPAC Name | 4-amino-2-(10-methylundecanoylamino)-4-oxobutanoic acid |
| SMILES (Canonical) | CC(C)CCCCCCCCC(=O)NC(CC(=O)N)C(=O)O |
| SMILES (Isomeric) | CC(C)CCCCCCCCC(=O)NC(CC(=O)N)C(=O)O |
| InChI | InChI=1S/C16H30N2O4/c1-12(2)9-7-5-3-4-6-8-10-15(20)18-13(16(21)22)11-14(17)19/h12-13H,3-11H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22) |
| InChI Key | HAIPUHCLABEHHT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H30N2O4 |
| Molecular Weight | 314.42 g/mol |
| Exact Mass | 314.22055744 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.90 |
| 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 | 98.18% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.49% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.12% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.17% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.04% | 96.47% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.59% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.40% | 95.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.18% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.06% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.95% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.75% | 90.20% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.35% | 90.71% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.02% | 97.23% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.86% | 97.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.31% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.23% | 96.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.87% | 93.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.11% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.53% | 94.45% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.11% | 92.29% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.03% | 89.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.63% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.61% | 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 | 76152430 |
| LOTUS | LTS0025079 |
| wikiData | Q104167652 |