(2S,2'R,3R,4E,8E)-N-2'-hydroxytetradecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
| Internal ID | 7b80074a-885e-4548-8f0f-768ba65b34e5 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides > Long-chain ceramides |
| IUPAC Name | (2R)-N-[(2S,3R,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxytetradecanamide |
| SMILES (Canonical) | CCCCCCCCCCCCC(C(=O)NC(CO)C(C=CCCC=C(C)CCCCCCCCC)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H](/C=C/CC/C=C(\C)/CCCCCCCCC)O)O |
| InChI | InChI=1S/C33H63NO4/c1-4-6-8-10-12-13-14-16-18-22-27-32(37)33(38)34-30(28-35)31(36)26-23-19-21-25-29(3)24-20-17-15-11-9-7-5-2/h23,25-26,30-32,35-37H,4-22,24,27-28H2,1-3H3,(H,34,38)/b26-23+,29-25+/t30-,31+,32+/m0/s1 |
| InChI Key | DEKGAKCJRCZBDX-VTPWMCFTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H63NO4 |
| Molecular Weight | 537.90 g/mol |
| Exact Mass | 537.47570949 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 10.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 98.82% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.58% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.01% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.19% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.90% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.66% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.41% | 96.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.96% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.59% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.37% | 91.81% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.10% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.04% | 83.82% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.99% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.69% | 94.73% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.55% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.46% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.36% | 85.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.93% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.61% | 89.63% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.54% | 92.29% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.11% | 92.88% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.73% | 90.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.90% | 98.03% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.52% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.36% | 89.34% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.07% | 96.90% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.17% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.94% | 98.75% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 81.20% | 98.57% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 80.81% | 94.05% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 80.67% | 96.67% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.58% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.51% | 96.47% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.35% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.29% | 89.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 11060562 |
| LOTUS | LTS0207939 |
| wikiData | Q104977295 |