(2E,4E,6E,8E)-9-(1,3-dimethylimidazol-1-ium-4-yl)-N-[(3S)-5-methyl-2-oxohexan-3-yl]nona-2,4,6,8-tetraenamide
| Internal ID | 0680406e-416a-443f-b74f-77723d55d766 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | (2E,4E,6E,8E)-9-(1,3-dimethylimidazol-1-ium-4-yl)-N-[(3S)-5-methyl-2-oxohexan-3-yl]nona-2,4,6,8-tetraenamide |
| SMILES (Canonical) | CC(C)CC(C(=O)C)NC(=O)C=CC=CC=CC=CC1=C[N+](=CN1C)C |
| SMILES (Isomeric) | CC(C)C[C@@H](C(=O)C)NC(=O)/C=C/C=C/C=C/C=C/C1=C[N+](=CN1C)C |
| InChI | InChI=1S/C21H29N3O2/c1-17(2)14-20(18(3)25)22-21(26)13-11-9-7-6-8-10-12-19-15-23(4)16-24(19)5/h6-13,15-17,20H,14H2,1-5H3/p+1/b8-6+,9-7+,12-10+,13-11+/t20-/m0/s1 |
| InChI Key | IJGNGQQFTLOVNN-XIUYYCRVSA-O |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H30N3O2+ |
| Molecular Weight | 356.50 g/mol |
| Exact Mass | 356.23380221 g/mol |
| Topological Polar Surface Area (TPSA) | 55.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (2E,4E,6E,8E)-9-(1,3-dimethylimidazol-1-ium-4-yl)-N-[(3S)-5-methyl-2-oxohexan-3-yl]nona-2,4,6,8-tetraenamide](https://plantaedb.com/storage/docs/compounds/2023/11/b51994e0-858f-11ee-807d-37e523fd0905.jpg "2D Structure of (2E,4E,6E,8E)-9-(1,3-dimethylimidazol-1-ium-4-yl)-N-[(3S)-5-methyl-2-oxohexan-3-yl]nona-2,4,6,8-tetraenamide")
| 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 | 98.39% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.89% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.28% | 96.61% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.66% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.69% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.59% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.38% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.56% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.50% | 89.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.90% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.78% | 98.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.24% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.10% | 91.11% |
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.
| There are no matching plants. |
| PubChem | 15489289 |
| LOTUS | LTS0128737 |
| wikiData | Q77573724 |