H-DL-Val-DL-Ala-DL-Val-DL-Leu-DL-Val-DL-Leu-Gly-DL-Ala-OH
| Internal ID | e22bea01-8e53-4101-b30d-5e3f0bd582fd |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-[[2-[[2-[[2-[[2-[[2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoic acid |
| SMILES (Canonical) | CC(C)CC(C(=O)NCC(=O)NC(C)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(C(C)C)N |
| SMILES (Isomeric) | CC(C)CC(C(=O)NCC(=O)NC(C)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(C(C)C)N |
| InChI | InChI=1S/C35H64N8O9/c1-16(2)13-23(30(46)37-15-25(44)38-22(12)35(51)52)40-34(50)28(20(9)10)43-31(47)24(14-17(3)4)41-33(49)27(19(7)8)42-29(45)21(11)39-32(48)26(36)18(5)6/h16-24,26-28H,13-15,36H2,1-12H3,(H,37,46)(H,38,44)(H,39,48)(H,40,50)(H,41,49)(H,42,45)(H,43,47)(H,51,52) |
| InChI Key | CJVFIJXEPCVCTK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H64N8O9 |
| Molecular Weight | 740.90 g/mol |
| Exact Mass | 740.47962565 g/mol |
| Topological Polar Surface Area (TPSA) | 267.00 Ų |
| XlogP | -1.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.47% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.83% | 89.63% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.85% | 90.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.60% | 99.35% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.48% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.55% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.65% | 100.00% |
| CHEMBL3308 | P55212 | Caspase-6 | 94.64% | 97.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.30% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.58% | 96.47% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 90.34% | 97.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 89.17% | 100.00% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 88.84% | 96.67% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.72% | 92.29% |
| CHEMBL3776 | Q14790 | Caspase-8 | 88.51% | 97.06% |
| CHEMBL1801 | P00747 | Plasminogen | 87.63% | 92.44% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 87.17% | 92.80% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.14% | 96.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 86.70% | 89.33% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 85.79% | 98.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.52% | 99.17% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.50% | 98.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.74% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.49% | 98.10% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 84.25% | 96.28% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.00% | 90.20% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.92% | 89.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.79% | 95.71% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.34% | 98.33% |
| CHEMBL4801 | P29466 | Caspase-1 | 82.53% | 96.85% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.48% | 96.61% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.32% | 90.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.20% | 96.90% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.12% | 97.21% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 80.33% | 98.94% |
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 | 76008311 |
| LOTUS | LTS0183647 |
| wikiData | Q103817792 |