CID 3481531
| Internal ID | 84978d62-8c1e-4df4-8a18-547c2b2c0997 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | |
| SMILES (Canonical) | CCC1C=CCCC2(O1)CC3CCC4N3C(=NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCCN)CCCN)CCCC(O5)C)N2 |
| SMILES (Isomeric) | CCC1C=CCCC2(O1)CC3CCC4N3C(=NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCCN)CCCN)CCCC(O5)C)N2 |
| InChI | InChI=1S/C45H80N6O5/c1-3-38-24-16-17-28-44(56-38)35-37-26-27-39-41(45(29-21-23-36(2)55-45)49-43(48-44)51(37)39)42(53)54-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-40(52)50(33-22-31-47)32-19-18-30-46/h16,24,36-39,41H,3-15,17-23,25-35,46-47H2,1-2H3,(H,48,49) |
| InChI Key | VTJKGZFFFMXPGP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H80N6O5 |
| Molecular Weight | 785.20 g/mol |
| Exact Mass | 784.61901967 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.69% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.29% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.65% | 97.09% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 96.30% | 89.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.47% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.68% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.10% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.74% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.69% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.88% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.02% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.86% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.06% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.68% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.72% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.24% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.60% | 86.33% |
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 | 3481531 |
| LOTUS | LTS0035747 |
| wikiData | Q105292775 |