2-[[3-Methyl-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoyl]amino]butanedioic acid
| Internal ID | 013950b0-235b-466b-ae71-7b00b6723964 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-[[3-methyl-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoyl]amino]butanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H28N2O10/c1-3-7(2)11(14(24)18-8(15(25)26)4-10(20)21)17-6-16(27)13(23)12(22)9(19)5-28-16/h7-9,11-13,17,19,22-23,27H,3-6H2,1-2H3,(H,18,24)(H,20,21)(H,25,26) |
| InChI Key | BELGAWBTHZWTMH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H28N2O10 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.17439509 g/mol |
| Topological Polar Surface Area (TPSA) | 206.00 Ų |
| XlogP | -4.70 |
| There are no found synonyms. |
![2D Structure of 2-[[3-Methyl-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoyl]amino]butanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-methyl-2-2345-tetrahydroxyoxan-2-ylmethylaminopentanoylaminobutanedioic-acid.jpg "2D Structure of 2-[[3-Methyl-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoyl]amino]butanedioic acid")
| 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 | 98.61% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.12% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.98% | 85.14% |
| CHEMBL3776 | Q14790 | Caspase-8 | 97.86% | 97.06% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.21% | 96.09% |
| CHEMBL4801 | P29466 | Caspase-1 | 94.95% | 96.85% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.15% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 89.34% | 100.00% |
| CHEMBL3308 | P55212 | Caspase-6 | 89.01% | 97.56% |
| CHEMBL3784 | Q09472 | Histone acetyltransferase p300 | 88.62% | 93.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.05% | 96.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.49% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.59% | 91.19% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.56% | 98.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.98% | 89.50% |
| CHEMBL5028 | O14672 | ADAM10 | 84.88% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.48% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.33% | 94.45% |
| CHEMBL209 | P07477 | Trypsin I | 83.77% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.36% | 90.71% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 83.23% | 97.86% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.46% | 97.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 14304558 |
| LOTUS | LTS0076252 |
| wikiData | Q103816680 |