2-hydroxy-N-(1,3,4-trihydroxyoctadec-8-en-2-yl)tetracos-15-enamide
| Internal ID | 4f1d355e-6cb2-4190-9253-56254532d866 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides > Phytoceramides |
| IUPAC Name | 2-hydroxy-N-(1,3,4-trihydroxyoctadec-8-en-2-yl)tetracos-15-enamide |
| SMILES (Canonical) | CCCCCCCCCC=CCCCC(C(C(CO)NC(=O)C(CCCCCCCCCCCCC=CCCCCCCCC)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCC=CCCCC(C(C(CO)NC(=O)C(CCCCCCCCCCCCC=CCCCCCCCC)O)O)O |
| InChI | InChI=1S/C42H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,27,29,38-41,44-47H,3-16,19-26,28,30-37H2,1-2H3,(H,43,48) |
| InChI Key | QYYCNPXRGLTWGS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H81NO5 |
| Molecular Weight | 680.10 g/mol |
| Exact Mass | 679.61147468 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 14.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.51% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.06% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.81% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.71% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.32% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.41% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.03% | 83.82% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.00% | 92.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.28% | 91.81% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.93% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.91% | 89.63% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.76% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.04% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.23% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.91% | 96.95% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.45% | 94.66% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.75% | 91.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.38% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.36% | 94.73% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.31% | 95.71% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 83.29% | 86.67% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.88% | 94.33% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.40% | 87.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.33% | 90.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.28% | 97.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.52% | 98.03% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.39% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.30% | 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.
| Brassica napus |
| PubChem | 162980638 |
| LOTUS | LTS0037251 |
| wikiData | Q105231188 |