N-(1,3-dihydroxy-4-oxononadecan-2-yl)docosanamide
| Internal ID | df228195-1fa6-4624-b236-4d01af6b4114 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides |
| IUPAC Name | N-(1,3-dihydroxy-4-oxononadecan-2-yl)docosanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(=O)CCCCCCCCCCCCCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(=O)CCCCCCCCCCCCCCC)O |
| InChI | InChI=1S/C41H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(45)42-38(37-43)41(46)39(44)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38,41,43,46H,3-37H2,1-2H3,(H,42,45) |
| InChI Key | LZOHGCIEYSNNNL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H81NO4 |
| Molecular Weight | 652.10 g/mol |
| Exact Mass | 651.61656007 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 15.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.81% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.56% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.55% | 83.82% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.47% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.10% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.73% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.69% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.56% | 98.03% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.62% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.60% | 96.47% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.40% | 92.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.30% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.78% | 90.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.80% | 91.81% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.47% | 87.45% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 84.14% | 95.93% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 84.11% | 89.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.80% | 92.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.28% | 90.71% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.51% | 85.94% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 81.56% | 96.67% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.33% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.27% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.02% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.00% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.96% | 91.11% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.38% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.19% | 94.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.14% | 82.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 14702931 |
| LOTUS | LTS0199906 |
| wikiData | Q105160044 |