2-[[6-Amino-2-[[2-(dodeca-2,4-dienoylamino)-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoic acid
| Internal ID | f305384f-18d1-4c99-b9b2-1faab1f1b0e3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-[[6-amino-2-[[2-(dodeca-2,4-dienoylamino)-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H44N4O6/c1-4-5-6-7-8-9-10-11-12-16-21(31)29-22(19(3)30)24(33)28-20(15-13-14-17-26)23(32)27-18(2)25(34)35/h10-12,16,18-20,22,30H,4-9,13-15,17,26H2,1-3H3,(H,27,32)(H,28,33)(H,29,31)(H,34,35) |
| InChI Key | XQMCXKGPQLLQCI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H44N4O6 |
| Molecular Weight | 496.60 g/mol |
| Exact Mass | 496.32608514 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of 2-[[6-Amino-2-[[2-(dodeca-2,4-dienoylamino)-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-6-amino-2-2-dodeca-24-dienoylamino-3-hydroxybutanoylaminohexanoylaminopropanoic-acid.jpg "2D Structure of 2-[[6-Amino-2-[[2-(dodeca-2,4-dienoylamino)-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoic 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.07% | 90.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.89% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.23% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.22% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.07% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.65% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.46% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.52% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.14% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.76% | 96.47% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.76% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 91.01% | 87.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.76% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.03% | 99.35% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.98% | 92.86% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 89.78% | 98.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.68% | 98.03% |
| CHEMBL3776 | Q14790 | Caspase-8 | 88.71% | 97.06% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.56% | 91.11% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 88.11% | 98.94% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.65% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.70% | 97.21% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.30% | 95.71% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.72% | 92.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.40% | 92.08% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.99% | 96.90% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.55% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.46% | 90.20% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 84.45% | 97.23% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.19% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.96% | 94.45% |
| CHEMBL3308 | P55212 | Caspase-6 | 83.86% | 97.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.70% | 93.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.85% | 93.18% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.50% | 89.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.10% | 96.95% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.41% | 95.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.48% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.41% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.33% | 90.71% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 80.14% | 96.28% |
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 | 78077236 |
| LOTUS | LTS0097565 |
| wikiData | Q104201254 |