N-(1,3,4-trihydroxytetracos-12-en-2-yl)octadecanamide
| Internal ID | 29c350b8-67bf-4467-888b-d2d55c2e4593 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides > Phytoceramides |
| IUPAC Name | N-(1,3,4-trihydroxytetracos-12-en-2-yl)octadecanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCC=CCCCCCCCCCCC)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCC=CCCCCCCCCCCC)O)O |
| InChI | InChI=1S/C42H83NO4/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-40(45)42(47)39(38-44)43-41(46)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h21,23,39-40,42,44-45,47H,3-20,22,24-38H2,1-2H3,(H,43,46) |
| InChI Key | YXEZGSCBJLWKTO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H83NO4 |
| Molecular Weight | 666.10 g/mol |
| Exact Mass | 665.63221013 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 15.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.97% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.67% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.55% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.03% | 97.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.91% | 83.82% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.22% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.67% | 92.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.45% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.37% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.32% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.58% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.56% | 98.03% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.40% | 91.81% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.43% | 85.94% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.56% | 89.34% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.40% | 97.00% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 86.24% | 86.67% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.75% | 95.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.42% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.07% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.64% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.02% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.23% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.86% | 91.11% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.63% | 91.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.20% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.01% | 91.19% |
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.
| Paullinia pinnata |
| PubChem | 162878093 |
| LOTUS | LTS0111422 |
| wikiData | Q105367541 |