(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-[(2R)-2-methylbutyl]penta-2,4-dienamide
| Internal ID | 0e124a01-5960-4a11-bff6-f59d985c16c5 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-[(2R)-2-methylbutyl]penta-2,4-dienamide |
| SMILES (Canonical) | CCC(C)CNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC[C@@H](C)CNC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C17H21NO3/c1-3-13(2)11-18-17(19)7-5-4-6-14-8-9-15-16(10-14)21-12-20-15/h4-10,13H,3,11-12H2,1-2H3,(H,18,19)/b6-4+,7-5+/t13-/m1/s1 |
| InChI Key | DDDBNNKSLDKJON-WYIVNXOOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.35 g/mol |
| Exact Mass | 287.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-[(2R)-2-methylbutyl]penta-2,4-dienamide](https://plantaedb.com/storage/docs/compounds/2023/11/2e4e-5-13-benzodioxol-5-yl-n-2r-2-methylbutylpenta-24-dienamide.jpg "2D Structure of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-[(2R)-2-methylbutyl]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.52% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.43% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 97.35% | 94.80% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 96.91% | 92.51% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.88% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.63% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.50% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.71% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.08% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.94% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.69% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.20% | 80.96% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.08% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.34% | 95.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.75% | 98.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.68% | 85.30% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.08% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.94% | 90.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.98% | 89.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.90% | 89.34% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.60% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.47% | 92.62% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.95% | 90.24% |
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 | 44453973 |
| LOTUS | LTS0205869 |
| wikiData | Q104976245 |