12-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)dodeca-2,4,11-trienamide
| Internal ID | aac42b6a-6358-4d6f-9b19-28dc39631d41 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 12-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)dodeca-2,4,11-trienamide |
| SMILES (Canonical) | CC(C)CCNC(=O)C=CC=CCCCCCC=CC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC(C)CCNC(=O)C=CC=CCCCCCC=CC1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C24H33NO3/c1-20(2)16-17-25-24(26)13-11-9-7-5-3-4-6-8-10-12-21-14-15-22-23(18-21)28-19-27-22/h7,9-15,18,20H,3-6,8,16-17,19H2,1-2H3,(H,25,26) |
| InChI Key | DWPMNGYHFAAZBH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H33NO3 |
| Molecular Weight | 383.50 g/mol |
| Exact Mass | 383.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 6.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.16% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.47% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.99% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.33% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.33% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.07% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.60% | 94.73% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.25% | 94.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.02% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.38% | 89.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.52% | 92.51% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.37% | 85.30% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.36% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.44% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.48% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.96% | 95.56% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.67% | 89.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.18% | 96.47% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.73% | 90.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.71% | 89.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.64% | 93.56% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 80.52% | 81.29% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.09% | 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 | 72757529 |
| LOTUS | LTS0267262 |
| wikiData | Q104990678 |