8-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)octa-2,4-dienamide
| Internal ID | 617cfd79-55ae-4a1e-b56d-74f5f2a680c6 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 8-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)octa-2,4-dienamide |
| SMILES (Canonical) | CC(C)CCNC(=O)C=CC=CCCCC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC(C)CCNC(=O)C=CC=CCCCC1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C20H27NO3/c1-16(2)12-13-21-20(22)9-7-5-3-4-6-8-17-10-11-18-19(14-17)24-15-23-18/h3,5,7,9-11,14,16H,4,6,8,12-13,15H2,1-2H3,(H,21,22) |
| InChI Key | SWENTULCGZSDKG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H27NO3 |
| Molecular Weight | 329.40 g/mol |
| Exact Mass | 329.19909372 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
| 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 | 99.03% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.00% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.60% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.41% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.95% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.85% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.76% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.48% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.66% | 90.71% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 93.59% | 92.51% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.82% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.51% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.72% | 89.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.42% | 85.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.79% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.15% | 90.24% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.86% | 89.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.49% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.37% | 90.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.31% | 80.96% |
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 nigrum |
| PubChem | 163041757 |
| LOTUS | LTS0269066 |
| wikiData | Q105262610 |