(2S)-5-(diaminomethylideneamino)-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
| Internal ID | 03e0ca9c-1da7-485e-836e-2dd9601159c4 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Arginine and derivatives |
| IUPAC Name | (2S)-5-(diaminomethylideneamino)-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid |
| SMILES (Canonical) | C1=CC=C(C=C1)C=CC(=O)NC(CCCN=C(N)N)C(=O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)/C=C/C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChI | InChI=1S/C15H20N4O3/c16-15(17)18-10-4-7-12(14(21)22)19-13(20)9-8-11-5-2-1-3-6-11/h1-3,5-6,8-9,12H,4,7,10H2,(H,19,20)(H,21,22)(H4,16,17,18)/b9-8+/t12-/m0/s1 |
| InChI Key | XURGXFHXZOAMFK-BCPZQOPPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20N4O3 |
| Molecular Weight | 304.34 g/mol |
| Exact Mass | 304.15354051 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (2S)-5-(diaminomethylideneamino)-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-5-diaminomethylideneamino-2-e-3-phenylprop-2-enoylaminopentanoic-acid.jpg "2D Structure of (2S)-5-(diaminomethylideneamino)-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.74% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.22% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.21% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.35% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.49% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.24% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.57% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.32% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.78% | 86.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.17% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.15% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.03% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.75% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.33% | 90.20% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.36% | 93.81% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.17% | 90.71% |
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.
| Glinus oppositifolius |
| PubChem | 163189478 |
| LOTUS | LTS0097059 |
| wikiData | Q105342535 |