(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]trideca-2,4,12-trienamide
| Internal ID | 6c9cd2d0-7833-488c-a5f3-d4373d2ff2dc |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]trideca-2,4,12-trienamide |
| SMILES (Canonical) | CCC(C)NC(=O)C=CC=CCCCCCCC=CC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC[C@@H](C)NC(=O)/C=C/C=C/CCCCCC/C=C/C1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C24H33NO3/c1-3-20(2)25-24(26)15-13-11-9-7-5-4-6-8-10-12-14-21-16-17-22-23(18-21)28-19-27-22/h9,11-18,20H,3-8,10,19H2,1-2H3,(H,25,26)/b11-9+,14-12+,15-13+/t20-/m1/s1 |
| InChI Key | YMEOKCQRDKKTBN-UNRFKFNXSA-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 | 6.80 |
| There are no found synonyms. |
![2D Structure of (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]trideca-2,4,12-trienamide](https://plantaedb.com/storage/docs/compounds/2023/11/2e4e12e-13-13-benzodioxol-5-yl-n-2r-butan-2-yltrideca-2412-trienamide.jpg "2D Structure of (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]trideca-2,4,12-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.32% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.24% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.81% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.19% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.01% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.74% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.52% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.25% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.72% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.45% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.55% | 90.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.86% | 85.30% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.67% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.32% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.32% | 96.47% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.54% | 90.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.39% | 89.50% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.09% | 89.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.77% | 96.95% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.04% | 89.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.62% | 98.75% |
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 |
| Piper sarmentosum |
| PubChem | 154496701 |
| LOTUS | LTS0099964 |
| wikiData | Q105350486 |