3-(3,4-Dihydroxyphenyl)-2-[[2-(3-oxo-2-pent-2-enylcyclopentyl)acetyl]amino]propanoic acid
| Internal ID | e8a55715-9fa3-43ac-b174-bb18165bc539 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)-2-[[2-(3-oxo-2-pent-2-enylcyclopentyl)acetyl]amino]propanoic acid |
| SMILES (Canonical) | CCC=CCC1C(CCC1=O)CC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O |
| SMILES (Isomeric) | CCC=CCC1C(CCC1=O)CC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O |
| InChI | InChI=1S/C21H27NO6/c1-2-3-4-5-15-14(7-9-17(15)23)12-20(26)22-16(21(27)28)10-13-6-8-18(24)19(25)11-13/h3-4,6,8,11,14-16,24-25H,2,5,7,9-10,12H2,1H3,(H,22,26)(H,27,28) |
| InChI Key | QMNCIZZUXQVCBL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H27NO6 |
| Molecular Weight | 389.40 g/mol |
| Exact Mass | 389.18383758 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 3-(3,4-Dihydroxyphenyl)-2-[[2-(3-oxo-2-pent-2-enylcyclopentyl)acetyl]amino]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-34-dihydroxyphenyl-2-2-3-oxo-2-pent-2-enylcyclopentylacetylaminopropanoic-acid.jpg "2D Structure of 3-(3,4-Dihydroxyphenyl)-2-[[2-(3-oxo-2-pent-2-enylcyclopentyl)acetyl]amino]propanoic 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 | 98.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.12% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.74% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.57% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.69% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.11% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.59% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.76% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.51% | 91.19% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.51% | 98.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.35% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.63% | 95.89% |
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.
| Vicia faba |
| PubChem | 73002048 |
| LOTUS | LTS0073212 |
| wikiData | Q105224069 |