(2S,4S)-2-amino-4-hydroxy-5-[2-(hydroxymethyl)buta-1,3-dienylamino]-5-oxopentanoic acid
| Internal ID | 61427783-1375-440a-b5cd-c8343f044b31 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids |
| IUPAC Name | (2S,4S)-2-amino-4-hydroxy-5-[2-(hydroxymethyl)buta-1,3-dienylamino]-5-oxopentanoic acid |
| SMILES (Canonical) | C=CC(=CNC(=O)C(CC(C(=O)O)N)O)CO |
| SMILES (Isomeric) | C=CC(=CNC(=O)[C@H](C[C@@H](C(=O)O)N)O)CO |
| InChI | InChI=1S/C10H16N2O5/c1-2-6(5-13)4-12-9(15)8(14)3-7(11)10(16)17/h2,4,7-8,13-14H,1,3,5,11H2,(H,12,15)(H,16,17)/t7-,8-/m0/s1 |
| InChI Key | VYDAYIZJJUOQMT-YUMQZZPRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H16N2O5 |
| Molecular Weight | 244.24 g/mol |
| Exact Mass | 244.10592162 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | -3.80 |
| There are no found synonyms. |
![2D Structure of (2S,4S)-2-amino-4-hydroxy-5-[2-(hydroxymethyl)buta-1,3-dienylamino]-5-oxopentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s4s-2-amino-4-hydroxy-5-2-hydroxymethylbuta-13-dienylamino-5-oxopentanoic-acid.jpg "2D Structure of (2S,4S)-2-amino-4-hydroxy-5-[2-(hydroxymethyl)buta-1,3-dienylamino]-5-oxopentanoic 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 | 97.28% | 83.82% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 96.04% | 92.29% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 94.30% | 82.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.60% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.49% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.12% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.19% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.64% | 90.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.45% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.41% | 96.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.32% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.06% | 91.11% |
| CHEMBL5251 | Q06187 | Tyrosine-protein kinase BTK | 84.93% | 98.51% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.26% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.20% | 91.19% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.75% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.61% | 93.56% |
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.
| Hemerocallis fulva |
| PubChem | 163094409 |
| LOTUS | LTS0203349 |
| wikiData | Q105298899 |