N-[5-(diaminomethylideneamino)pentyl]-N-[3-(3-methylbut-2-enoylamino)propyl]dodec-5-enamide
| Internal ID | 9bb39041-e270-4696-abe8-fd2c1629c310 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | N-[5-(diaminomethylideneamino)pentyl]-N-[3-(3-methylbut-2-enoylamino)propyl]dodec-5-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H49N5O2/c1-4-5-6-7-8-9-10-11-13-17-25(33)31(20-15-12-14-18-30-26(27)28)21-16-19-29-24(32)22-23(2)3/h9-10,22H,4-8,11-21H2,1-3H3,(H,29,32)(H4,27,28,30) |
| InChI Key | FIRNSKBCXJVXEU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H49N5O2 |
| Molecular Weight | 463.70 g/mol |
| Exact Mass | 463.38862582 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of N-[5-(diaminomethylideneamino)pentyl]-N-[3-(3-methylbut-2-enoylamino)propyl]dodec-5-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-5-diaminomethylideneaminopentyl-n-3-3-methylbut-2-enoylaminopropyldodec-5-enamide.jpg "2D Structure of N-[5-(diaminomethylideneamino)pentyl]-N-[3-(3-methylbut-2-enoylamino)propyl]dodec-5-enamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.13% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.85% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.77% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.37% | 97.29% |
| CHEMBL4179 | P45984 | c-Jun N-terminal kinase 2 | 93.70% | 90.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.38% | 89.34% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.97% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.58% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.55% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.52% | 94.73% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 87.71% | 95.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.23% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.94% | 91.81% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.43% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.18% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.03% | 96.00% |
| CHEMBL2185 | Q96GD4 | Serine/threonine-protein kinase Aurora-B | 85.80% | 96.80% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.76% | 97.00% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 85.34% | 86.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.27% | 90.71% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 85.13% | 91.83% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 84.67% | 87.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.65% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.51% | 89.63% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.29% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.89% | 96.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.27% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.04% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.81% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.63% | 87.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.85% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74051190 |
| LOTUS | LTS0210107 |
| wikiData | Q104995833 |