(2R)-N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]-2-hydroxytetracosanamide
| Internal ID | 00918e1d-d314-4b52-8767-3808c35c5a1b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]-2-hydroxytetracosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H93NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-40(51)46(56)48-38(36-57-47-45(55)44(54)43(53)41(35-49)58-47)42(52)39(50)33-30-27-24-22-21-23-26-29-32-37(2)3/h37-45,47,49-55H,4-36H2,1-3H3,(H,48,56)/t38-,39+,40+,41+,42-,43-,44-,45-,47+/m0/s1 |
| InChI Key | XATOAUGQRUVQKV-KDURSFAXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C47H93NO10 |
| Molecular Weight | 832.20 g/mol |
| Exact Mass | 831.67994816 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 13.40 |
| There are no found synonyms. |
![2D Structure of (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]-2-hydroxytetracosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/31334c40-869e-11ee-8894-9facaac46e53.jpg "2D Structure of (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]-2-hydroxytetracosanamide")
| 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 | 98.86% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.60% | 83.82% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.39% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.33% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.22% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.56% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.41% | 99.17% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 92.66% | 98.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.84% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.48% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.91% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.89% | 91.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.69% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.83% | 92.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.95% | 82.50% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 87.73% | 90.24% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.71% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.86% | 94.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.73% | 85.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.44% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.20% | 95.89% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.04% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.93% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.64% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.32% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.93% | 87.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.18% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.05% | 92.88% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.02% | 96.38% |
| CHEMBL3776 | Q14790 | Caspase-8 | 81.45% | 97.06% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.62% | 96.21% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.53% | 91.81% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.43% | 96.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.26% | 95.93% |
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 | 162974345 |
| LOTUS | LTS0081753 |
| wikiData | Q105324137 |