(2R)-2-hydroxy-N-[(2S,3R,4E,9E)-3-hydroxy-1-[(2R,3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,9-dien-2-yl]hexadecanamide
| Internal ID | 7793ca8b-2820-48f6-90d5-b2d88235c3de |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids > Simple glycosylceramides > Glycosyl-N-acylsphingosines |
| IUPAC Name | (2R)-2-hydroxy-N-[(2S,3R,4E,9E)-3-hydroxy-1-[(2R,3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,9-dien-2-yl]hexadecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,26,28,32-38,40,42-47H,3-16,18,20-25,27,29-31H2,1-2H3,(H,41,48)/b19-17+,28-26+/t32-,33+,34+,35?,36?,37+,38-,40+/m0/s1 |
| InChI Key | FCJMSLIHUAMACO-ZAHWFXDLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H75NO9 |
| Molecular Weight | 714.00 g/mol |
| Exact Mass | 713.54418297 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 9.60 |
| There are no found synonyms. |
![2D Structure of (2R)-2-hydroxy-N-[(2S,3R,4E,9E)-3-hydroxy-1-[(2R,3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,9-dien-2-yl]hexadecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/72f2b180-8599-11ee-bbed-eb619ca0c140.jpg "2D Structure of (2R)-2-hydroxy-N-[(2S,3R,4E,9E)-3-hydroxy-1-[(2R,3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,9-dien-2-yl]hexadecanamide")
| 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 | 98.99% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.77% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.58% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.94% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.55% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.33% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.91% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.81% | 92.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.15% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.95% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.51% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.45% | 91.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.13% | 94.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.11% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.01% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.92% | 96.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.33% | 82.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.23% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.57% | 96.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.97% | 92.88% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.59% | 96.95% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.40% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.74% | 89.34% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.51% | 95.64% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.04% | 92.32% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.89% | 89.63% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.73% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.47% | 89.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.06% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.46% | 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.
| There are no matching plants. |
| PubChem | 163188899 |
| LOTUS | LTS0084567 |
| wikiData | Q104993172 |