8-[2-(1-carboxy-2-methylbutyl)-4,6-dihydroxy-1-oxo-3H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid
| Internal ID | 44a22441-60f8-4db9-97e5-579ec0a4c84b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Isoleucine and derivatives |
| IUPAC Name | 8-[2-(1-carboxy-2-methylbutyl)-4,6-dihydroxy-1-oxo-3H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H31NO7/c1-5-14(3)20(24(31)32)25-12-18-17(22(25)28)11-19(26)16(21(18)27)10-9-13(2)7-6-8-15(4)23(29)30/h8-9,11,14,20,26-27H,5-7,10,12H2,1-4H3,(H,29,30)(H,31,32) |
| InChI Key | WJNCJJUXKGZWSO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H31NO7 |
| Molecular Weight | 445.50 g/mol |
| Exact Mass | 445.21005233 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 8-[2-(1-carboxy-2-methylbutyl)-4,6-dihydroxy-1-oxo-3H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/dedc4ea0-855e-11ee-8717-3b174128429f.jpg "2D Structure of 8-[2-(1-carboxy-2-methylbutyl)-4,6-dihydroxy-1-oxo-3H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic 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 | 98.46% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.33% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.84% | 95.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.16% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.43% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.42% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.95% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.80% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.55% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.02% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.86% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.53% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.95% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.86% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.13% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.55% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.00% | 98.75% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.94% | 90.24% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.57% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.21% | 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.
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| There are no matching plants. |
| PubChem | 163065553 |
| LOTUS | LTS0062471 |
| wikiData | Q104200280 |