2-[(3,6-Diaminohexanoylamino)-methylamino]acetic acid
| Internal ID | 483c6bc5-26dd-4358-b3a1-ae15379b8b87 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Beta amino acids and derivatives |
| IUPAC Name | 2-[(3,6-diaminohexanoylamino)-methylamino]acetic acid |
| SMILES (Canonical) | CN(CC(=O)O)NC(=O)CC(CCCN)N |
| SMILES (Isomeric) | CN(CC(=O)O)NC(=O)CC(CCCN)N |
| InChI | InChI=1S/C9H20N4O3/c1-13(6-9(15)16)12-8(14)5-7(11)3-2-4-10/h7H,2-6,10-11H2,1H3,(H,12,14)(H,15,16) |
| InChI Key | GMDVGRCKPKMEFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H20N4O3 |
| Molecular Weight | 232.28 g/mol |
| Exact Mass | 232.15354051 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | -4.10 |
| There are no found synonyms. |
![2D Structure of 2-[(3,6-Diaminohexanoylamino)-methylamino]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-36-diaminohexanoylamino-methylaminoacetic-acid.jpg "2D Structure of 2-[(3,6-Diaminohexanoylamino)-methylamino]acetic 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 | 97.00% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.98% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.60% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.18% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.95% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.40% | 91.19% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.24% | 97.29% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.17% | 90.20% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.98% | 94.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.61% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.21% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.03% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 23621249 |
| LOTUS | LTS0196262 |
| wikiData | Q104167287 |