(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]penta-2,4-dienamide
| Internal ID | dbf8388a-8046-4e7a-985f-67f4c2e278a8 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]penta-2,4-dienamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H19NO3/c1-3-12(2)17-16(18)7-5-4-6-13-8-9-14-15(10-13)20-11-19-14/h4-10,12H,3,11H2,1-2H3,(H,17,18)/b6-4+,7-5+/t12-/m0/s1 |
| InChI Key | AELCSTBSEIVBBX-HINGSUDXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.33 g/mol |
| Exact Mass | 273.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]penta-2,4-dienamide](https://plantaedb.com/storage/docs/compounds/2023/11/2e4e-5-13-benzodioxol-5-yl-n-2s-butan-2-ylpenta-24-dienamide.jpg "2D Structure of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]penta-2,4-dienamide")
| 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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 98.20% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.78% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.61% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.10% | 94.45% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 94.63% | 92.51% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.52% | 96.77% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.23% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.73% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.65% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.12% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.04% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.67% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.51% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.06% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.19% | 90.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.06% | 85.30% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.03% | 89.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.03% | 89.34% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.72% | 80.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.41% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.78% | 89.62% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.89% | 96.47% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.51% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.50% | 92.62% |
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.
| Piper guineense |
| PubChem | 163186488 |
| LOTUS | LTS0216874 |
| wikiData | Q104910128 |