(2'S,3'S)-[(2E,4E)-2-methyl-hexa-2,4-dienoic acid isoleucinaldehyde]
| Internal ID | a8a4e8fb-08f4-4bc9-a2e5-e91147e33ec5 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | (2E,4E)-2-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hexa-2,4-dienamide |
| SMILES (Canonical) | CCC(C)C(C=O)NC(=O)C(=CC=CC)C |
| SMILES (Isomeric) | CC[C@H](C)[C@@H](C=O)NC(=O)/C(=C/C=C/C)/C |
| InChI | InChI=1S/C13H21NO2/c1-5-7-8-11(4)13(16)14-12(9-15)10(3)6-2/h5,7-10,12H,6H2,1-4H3,(H,14,16)/b7-5+,11-8+/t10-,12+/m0/s1 |
| InChI Key | GQAGJBDOVWXYQZ-GUBBLXHUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.31 g/mol |
| Exact Mass | 223.157228913 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (2'S,3'S)-[(2E,4E)-2-methyl-hexa-2,4-dienoic acid isoleucinaldehyde]](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s-2e4e-2-methyl-hexa-24-dienoic-acid-isoleucinaldehyde.jpg "2D Structure of (2'S,3'S)-[(2E,4E)-2-methyl-hexa-2,4-dienoic acid isoleucinaldehyde]")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.78% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.59% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.96% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.81% | 98.95% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.67% | 93.67% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.43% | 89.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.25% | 89.34% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.26% | 94.33% |
| CHEMBL3308 | P55212 | Caspase-6 | 83.86% | 97.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.60% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.85% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.72% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.56% | 95.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139583657 |
| LOTUS | LTS0196968 |
| wikiData | Q75065144 |