2-[5,7-dihydroxy-6-(6-methoxy-3-methyl-6-oxohex-2-enyl)-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid
| Internal ID | bade0923-dcdb-45ed-b4cf-26b1ce0d3ad7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives |
| IUPAC Name | 2-[5,7-dihydroxy-6-(6-methoxy-3-methyl-6-oxohex-2-enyl)-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H27NO7/c1-15(9-11-22(28)33-2)8-10-17-21(27)13-18-19(23(17)29)14-26(24(18)30)20(25(31)32)12-16-6-4-3-5-7-16/h3-8,13,20,27,29H,9-12,14H2,1-2H3,(H,31,32) |
| InChI Key | PFCGJFIJZKYTPM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H27NO7 |
| Molecular Weight | 453.50 g/mol |
| Exact Mass | 453.17875220 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 2-[5,7-dihydroxy-6-(6-methoxy-3-methyl-6-oxohex-2-enyl)-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/713616f0-868d-11ee-84fa-f15856733d12.jpg "2D Structure of 2-[5,7-dihydroxy-6-(6-methoxy-3-methyl-6-oxohex-2-enyl)-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.94% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.91% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.29% | 95.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.01% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.25% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.76% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.39% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.29% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.07% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.82% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.32% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.81% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.55% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.37% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.54% | 94.73% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.13% | 92.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.18% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.01% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163065559 |
| LOTUS | LTS0126472 |
| wikiData | Q103815901 |