(2E,7Z)-N-[(2S)-2-methylbutyl]trideca-2,7-dien-10,12-diynamide
| Internal ID | addb86ee-bbf4-4bf2-8fc4-39488b803b92 |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids |
| IUPAC Name | (2E,7Z)-N-[(2S)-2-methylbutyl]trideca-2,7-dien-10,12-diynamide |
| SMILES (Canonical) | CCC(C)CNC(=O)C=CCCCC=CCC#CC#C |
| SMILES (Isomeric) | CC[C@H](C)CNC(=O)/C=C/CCC/C=C\CC#CC#C |
| InChI | InChI=1S/C18H25NO/c1-4-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(3)5-2/h1,9-10,14-15,17H,5,8,11-13,16H2,2-3H3,(H,19,20)/b10-9-,15-14+/t17-/m0/s1 |
| InChI Key | STAWYYOXFBDCAX-KVPWVUFNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H25NO |
| Molecular Weight | 271.40 g/mol |
| Exact Mass | 271.193614421 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (2E,7Z)-N-[(2S)-2-methylbutyl]trideca-2,7-dien-10,12-diynamide](https://plantaedb.com/storage/docs/compounds/2023/11/2e7z-n-2s-2-methylbutyltrideca-27-dien-1012-diynamide.jpg "2D Structure of (2E,7Z)-N-[(2S)-2-methylbutyl]trideca-2,7-dien-10,12-diynamide")
| 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 | 96.29% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.89% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.81% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.73% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.86% | 89.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.59% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.85% | 90.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.57% | 97.29% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.41% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.29% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.28% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.90% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.75% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.61% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.49% | 91.11% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.19% | 97.47% |
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.
| Echinacea purpurea |
| PubChem | 162872859 |
| LOTUS | LTS0106651 |
| wikiData | Q105260102 |