2-[3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoylamino]pentanedioic acid
| Internal ID | b4417d9b-7fb9-4835-ae1c-4f56d78a7e1e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives |
| IUPAC Name | 2-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoylamino]pentanedioic acid |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C=CC(=O)NC(CCC(=O)O)C(=O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C=CC(=O)NC(CCC(=O)O)C(=O)O)O |
| InChI | InChI=1S/C15H17NO7/c1-23-12-5-2-9(8-11(12)17)3-6-13(18)16-10(15(21)22)4-7-14(19)20/h2-3,5-6,8,10,17H,4,7H2,1H3,(H,16,18)(H,19,20)(H,21,22) |
| InChI Key | CMUANLUVCDUDGB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H17NO7 |
| Molecular Weight | 323.30 g/mol |
| Exact Mass | 323.10050188 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 2-[3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoylamino]pentanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-3-hydroxy-4-methoxyphenylprop-2-enoylaminopentanedioic-acid.jpg "2D Structure of 2-[3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoylamino]pentanedioic 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 98.11% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 97.86% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.39% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.43% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.43% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.08% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.22% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.26% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.17% | 90.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.29% | 89.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.13% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.96% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.56% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.40% | 93.56% |
| CHEMBL3194 | P02766 | Transthyretin | 80.48% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.26% | 91.19% |
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.
| Anthoceros agrestis |
| PubChem | 163086197 |
| LOTUS | LTS0229760 |
| wikiData | Q104965151 |