(2S)-2-amino-4-[(3-aminopropyl)amino]butanoic acid
| Internal ID | f770c46b-dcb3-4291-934c-ad4b5b6879ad |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | (2S)-2-amino-4-(3-aminopropylamino)butanoic acid |
| SMILES (Canonical) | C(CN)CNCCC(C(=O)O)N |
| SMILES (Isomeric) | C(CN)CNCC[C@@H](C(=O)O)N |
| InChI | InChI=1S/C7H17N3O2/c8-3-1-4-10-5-2-6(9)7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/t6-/m0/s1 |
| InChI Key | KFJYMJZJSUORBX-LURJTMIESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H17N3O2 |
| Molecular Weight | 175.23 g/mol |
| Exact Mass | 175.132076794 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | -4.70 |
| 131333-20-5 |
| (S)-2-Amino-4-[(3-aminopropyl)amino]-butanoicAcid |
| (2S)-2-amino-4-[(3-aminopropyl)amino]butanoic acid |
| (S)-2-Amino-4-[(3-aminopropyl)amino]-butanoic Acid (>90%) |
| SCHEMBL26309126 |
| CHEBI:67204 |
| Q27135684 |
![2D Structure of (2S)-2-amino-4-[(3-aminopropyl)amino]butanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-amino-4-3-aminopropylaminobutanoic-acid.jpg "2D Structure of (2S)-2-amino-4-[(3-aminopropyl)amino]butanoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.53% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.60% | 99.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 90.48% | 92.29% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.74% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.89% | 91.11% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.91% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.64% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.62% | 97.93% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.21% | 90.20% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.93% | 94.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.09% | 93.18% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.41% | 95.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.30% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.21% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.14% | 90.24% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.43% | 99.35% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 70678631 |
| LOTUS | LTS0082947 |
| wikiData | Q27135684 |