H-DL-xiIle-DL-Glu-DL-Ala-DL-Lys-OH
| Internal ID | 13327d58-59f7-46ef-9679-f4642d617bab |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 6-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-carboxybutanoyl]amino]propanoylamino]hexanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O)N |
| SMILES (Isomeric) | CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O)N |
| InChI | InChI=1S/C20H37N5O7/c1-4-11(2)16(22)19(30)24-13(8-9-15(26)27)18(29)23-12(3)17(28)25-14(20(31)32)7-5-6-10-21/h11-14,16H,4-10,21-22H2,1-3H3,(H,23,29)(H,24,30)(H,25,28)(H,26,27)(H,31,32) |
| InChI Key | QHGBCRCMBCWMBJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H37N5O7 |
| Molecular Weight | 459.50 g/mol |
| Exact Mass | 459.26929854 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | -5.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.36% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.35% | 98.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.78% | 99.35% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 96.73% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.64% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.77% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.69% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.46% | 93.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.35% | 97.23% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.15% | 90.20% |
| CHEMBL3776 | Q14790 | Caspase-8 | 94.27% | 97.06% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 93.69% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.45% | 98.33% |
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 | 91.80% | 96.73% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 89.64% | 98.94% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.58% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.52% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.90% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.37% | 97.21% |
| CHEMBL3308 | P55212 | Caspase-6 | 87.19% | 97.56% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 87.06% | 96.28% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.46% | 98.05% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 85.45% | 97.86% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 85.31% | 96.67% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.14% | 97.29% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 85.00% | 92.26% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.79% | 95.58% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 84.77% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.68% | 90.71% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.80% | 92.32% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.57% | 93.00% |
| CHEMBL4801 | P29466 | Caspase-1 | 83.38% | 96.85% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.29% | 96.90% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.56% | 93.18% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.83% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.31% | 96.95% |
| CHEMBL4296013 | Q5VWK5 | Interleukin-23 receptor | 81.25% | 88.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.80% | 89.50% |
| CHEMBL3629 | P68400 | Casein kinase II alpha | 80.47% | 98.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.19% | 94.33% |
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.
| Phytolacca americana |
| PubChem | 18502613 |
| LOTUS | LTS0174185 |
| wikiData | Q105220900 |