(3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione
| Internal ID | 2b1e6250-c3ed-4a73-aeba-ab991cce72b6 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolines > Phenylpyrrolines |
| IUPAC Name | (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H25NO3/c1-12(2)9-10-23-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20-19(17)22/h5-8,13,16-17H,1,9-11H2,2-4H3,(H,20,21,22)/t16-,17-/m1/s1 |
| InChI Key | RRUSUWLPNDEQGG-IAGOWNOFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H25NO3 |
| Molecular Weight | 315.40 g/mol |
| Exact Mass | 315.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3s4r-3-4-3-methylbut-3-enoxyphenyl-4-2-methylpropylpyrrolidine-25-dione.jpg "2D Structure of (3S,4R)-3-[4-(3-methylbut-3-enoxy)phenyl]-4-(2-methylpropyl)pyrrolidine-2,5-dione")
| 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 | 97.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.62% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.83% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.10% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.21% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.43% | 90.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 91.05% | 89.67% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 89.71% | 94.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.99% | 92.97% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.93% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.51% | 94.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.59% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.07% | 90.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.65% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.57% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.41% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.14% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.03% | 98.75% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.84% | 95.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.39% | 92.88% |
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 | 162896123 |
| LOTUS | LTS0080295 |
| wikiData | Q105244361 |