(2E,4E)-Hexa-2,4-dienoic acid {(S)-2-[(S)-2-methyl-1-((3R,4S)-4-methyl-2,5-dioxo-pyrrolidine-3-carbonyl)-propylcarbamoyl]-1-phenyl-ethyl}-amide
| Internal ID | 9db1bc15-5556-469a-98cf-a0681c41bd08 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives |
| IUPAC Name | N-[3-[[3-methyl-1-(4-methyl-2,5-dioxopyrrolidin-3-yl)-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]hexa-2,4-dienamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H31N3O5/c1-5-6-8-13-19(29)26-18(17-11-9-7-10-12-17)14-20(30)27-22(15(2)3)23(31)21-16(4)24(32)28-25(21)33/h5-13,15-16,18,21-22H,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,32,33) |
| InChI Key | WMLLJSBRSSYYPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H31N3O5 |
| Molecular Weight | 453.50 g/mol |
| Exact Mass | 453.22637110 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 2.40 |
| 155233-31-1 |
| N-[3-[[3-methyl-1-(4-methyl-2,5-dioxopyrrolidin-3-yl)-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]hexa-2,4-dienamide |
| FGA23331 |
![2D Structure of (2E,4E)-Hexa-2,4-dienoic acid {(S)-2-[(S)-2-methyl-1-((3R,4S)-4-methyl-2,5-dioxo-pyrrolidine-3-carbonyl)-propylcarbamoyl]-1-phenyl-ethyl}-amide](https://plantaedb.com/storage/docs/compounds/2023/11/b93a7970-857e-11ee-b949-013006ac05a4.jpg "2D Structure of (2E,4E)-Hexa-2,4-dienoic acid {(S)-2-[(S)-2-methyl-1-((3R,4S)-4-methyl-2,5-dioxo-pyrrolidine-3-carbonyl)-propylcarbamoyl]-1-phenyl-ethyl}-amide")
| 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 | 98.65% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.41% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.88% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.25% | 95.56% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 91.51% | 89.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.25% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.07% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.69% | 83.82% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 86.37% | 96.67% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.58% | 92.97% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.20% | 96.47% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.96% | 85.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.72% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.61% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.33% | 97.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.99% | 94.80% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.26% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.19% | 93.56% |
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.
| There are no matching plants. |
| PubChem | 73082918 |
| LOTUS | LTS0210388 |
| wikiData | Q104200411 |