(2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]nona-2,4,8-trienamide
| Internal ID | 416ee09d-ee3e-44dd-b3a2-5bd52e55b0b1 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]nona-2,4,8-trienamide |
| SMILES (Canonical) | CCC(C)NC(=O)C=CC=CCCC=CC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC[C@@H](C)NC(=O)/C=C/C=C/CC/C=C/C1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C20H25NO3/c1-3-16(2)21-20(22)11-9-7-5-4-6-8-10-17-12-13-18-19(14-17)24-15-23-18/h5,7-14,16H,3-4,6,15H2,1-2H3,(H,21,22)/b7-5+,10-8+,11-9+/t16-/m1/s1 |
| InChI Key | AHEYHYFMDFGWEG-FMQCLRLRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO3 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]nona-2,4,8-trienamide](https://plantaedb.com/storage/docs/compounds/2023/11/2e4e8e-9-13-benzodioxol-5-yl-n-2r-butan-2-ylnona-248-trienamide.jpg "2D Structure of (2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]nona-2,4,8-trienamide")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.70% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.52% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.44% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.15% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.26% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.89% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.75% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.97% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.75% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.67% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.22% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.54% | 89.34% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.47% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.61% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.55% | 86.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.21% | 98.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.25% | 85.30% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.25% | 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 longum |
| Piper retrofractum |
| PubChem | 154497349 |
| LOTUS | LTS0084889 |
| wikiData | Q104912214 |