(2E,4E,6S)-N-[N'-[4-(Diaminomethylideneamino)butyl]carbamimidoyl]-2,6,10-trimethylundeca-2,4,9-trienamide
| Internal ID | 0a988526-a1a2-42d8-ac22-71507d3b0795 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids |
| IUPAC Name | (2E,4E,6S)-N-[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]-2,6,10-trimethylundeca-2,4,9-trienamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H36N6O/c1-15(2)9-7-10-16(3)11-8-12-17(4)18(27)26-20(23)25-14-6-5-13-24-19(21)22/h8-9,11-12,16H,5-7,10,13-14H2,1-4H3,(H4,21,22,24)(H3,23,25,26,27)/b11-8+,17-12+/t16-/m0/s1 |
| InChI Key | HKFHCLUMLQKJJJ-QVCSGVSCSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H36N6O |
| Molecular Weight | 376.50 g/mol |
| Exact Mass | 376.29505979 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (2E,4E,6S)-N-[N'-[4-(Diaminomethylideneamino)butyl]carbamimidoyl]-2,6,10-trimethylundeca-2,4,9-trienamide](https://plantaedb.com/storage/docs/compounds/2023/11/3174d500-85a3-11ee-b622-f9c21214e2e6.jpg "2D Structure of (2E,4E,6S)-N-[N'-[4-(Diaminomethylideneamino)butyl]carbamimidoyl]-2,6,10-trimethylundeca-2,4,9-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 | 96.54% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.53% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.68% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.84% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.37% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.37% | 98.95% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.72% | 95.58% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.04% | 89.34% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.98% | 87.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.44% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.23% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.03% | 93.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.85% | 92.88% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.65% | 96.00% |
| CHEMBL2185 | Q96GD4 | Serine/threonine-protein kinase Aurora-B | 84.70% | 96.80% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.19% | 94.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.72% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.27% | 97.29% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.18% | 91.24% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.12% | 92.29% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 82.89% | 97.88% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.38% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.10% | 98.59% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.81% | 99.35% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.62% | 83.10% |
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 | 10785785 |
| LOTUS | LTS0111454 |
| wikiData | Q105029623 |