2-[(4-Amino-4-carboxybutanoyl)amino]-4-methylhex-4-enoic acid
| Internal ID | 5bddff0e-ff84-4715-8cca-7e291750577a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-[(4-amino-4-carboxybutanoyl)amino]-4-methylhex-4-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H20N2O5/c1-3-7(2)6-9(12(18)19)14-10(15)5-4-8(13)11(16)17/h3,8-9H,4-6,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19) |
| InChI Key | GSQHQBBMBLKNLU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H20N2O5 |
| Molecular Weight | 272.30 g/mol |
| Exact Mass | 272.13722174 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
![2D Structure of 2-[(4-Amino-4-carboxybutanoyl)amino]-4-methylhex-4-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-amino-4-carboxybutanoylamino-4-methylhex-4-enoic-acid.jpg "2D Structure of 2-[(4-Amino-4-carboxybutanoyl)amino]-4-methylhex-4-enoic 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.63% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.28% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.60% | 98.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.33% | 99.35% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 93.01% | 92.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.37% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.79% | 90.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.75% | 89.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.60% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.22% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.43% | 97.21% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.35% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.83% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.24% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.82% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.56% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.09% | 96.47% |
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.
| Aesculus californica |
| PubChem | 163040302 |
| LOTUS | LTS0177995 |
| wikiData | Q105017571 |