N-(1,3,4-trihydroxy-21-methyldocosan-2-yl)octadecanamide
| Internal ID | d3799edd-c5ef-4ce9-ba66-8ab0d5d64bbe |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides > Phytoceramides |
| IUPAC Name | N-(1,3,4-trihydroxy-21-methyldocosan-2-yl)octadecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H83NO4/c1-4-5-6-7-8-9-10-11-12-17-20-23-26-29-32-35-40(45)42-38(36-43)41(46)39(44)34-31-28-25-22-19-16-14-13-15-18-21-24-27-30-33-37(2)3/h37-39,41,43-44,46H,4-36H2,1-3H3,(H,42,45) |
| InChI Key | HSVYFTJBYZCXTB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H83NO4 |
| Molecular Weight | 654.10 g/mol |
| Exact Mass | 653.63221013 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 15.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.01% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.94% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.93% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.64% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.13% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.13% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.27% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.90% | 98.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.31% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.00% | 96.47% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.95% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.80% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.69% | 92.08% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.96% | 87.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.60% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.49% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.02% | 98.05% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.91% | 91.81% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.68% | 94.73% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.93% | 95.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.07% | 93.31% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.83% | 97.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.58% | 91.24% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.70% | 98.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.61% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.50% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.23% | 92.50% |
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 | 74336824 |
| LOTUS | LTS0031425 |
| wikiData | Q105033288 |