(2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]hexacos-17-enamide
| Internal ID | 99d2caed-a0ef-4f90-863c-7bc0117df99b |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids > Simple glycosylceramides > Glycosyl-N-acylsphingosines |
| IUPAC Name | (2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]hexacos-17-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-44(54)49(58)51-42(41-59-50-48(57)47(56)46(55)45(40-52)60-50)43(53)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h16-18,26,28,30,36,38,42-48,50,52-57H,3-15,19-25,27,29,31-35,37,39-41H2,1-2H3,(H,51,58)/b18-17?,26-16+,30-28+,38-36+/t42-,43+,44+,45+,46+,47-,48+,50+/m0/s1 |
| InChI Key | HTMBNFLKHVHXND-FMRIOHBNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C50H91NO9 |
| Molecular Weight | 850.30 g/mol |
| Exact Mass | 849.66938348 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 13.60 |
| There are no found synonyms. |
![2D Structure of (2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]hexacos-17-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/6c5e3420-8556-11ee-8650-c34611fb6e0d.jpg "2D Structure of (2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]hexacos-17-enamide")
| 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 | 98.85% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.71% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.39% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.82% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.64% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.57% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.79% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.17% | 92.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.49% | 92.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.14% | 89.63% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.79% | 91.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.22% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.51% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.47% | 90.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.23% | 94.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.94% | 85.94% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.66% | 96.47% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.17% | 91.81% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.78% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.42% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.36% | 92.88% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.17% | 82.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.80% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.56% | 89.34% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.17% | 92.32% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.22% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.38% | 96.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.18% | 97.47% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.11% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.70% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.52% | 97.21% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.00% | 83.82% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.55% | 95.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.11% | 95.50% |
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.
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| There are no matching plants. |
| PubChem | 163055225 |
| LOTUS | LTS0110021 |
| wikiData | Q105033492 |