(2R)-N-[(2S,3S,4R)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxydocosanamide
| Internal ID | 5d89a1c6-5afb-4709-90bb-a9df7c5ebc92 |
| 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)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxydocosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H97NO15/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-38(55)48(62)51-36(41(56)37(54)31-29-27-25-23-14-12-10-8-6-4-2)35-63-49-46(61)44(59)47(40(34-53)65-49)66-50-45(60)43(58)42(57)39(33-52)64-50/h36-47,49-50,52-61H,3-35H2,1-2H3,(H,51,62)/t36-,37+,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,49+,50-/m0/s1 |
| InChI Key | FRKOVIQPXHPCCK-YRIIQJTASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C50H97NO15 |
| Molecular Weight | 952.30 g/mol |
| Exact Mass | 951.68582139 g/mol |
| Topological Polar Surface Area (TPSA) | 268.00 Ų |
| XlogP | 9.90 |
| There are no found synonyms. |
![2D Structure of (2R)-N-[(2S,3S,4R)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxydocosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/20b6fc30-8677-11ee-8204-29b6991bf2e8.jpg "2D Structure of (2R)-N-[(2S,3S,4R)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxydocosanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.84% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.19% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.81% | 83.82% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.09% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.46% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.79% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.82% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.50% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.16% | 94.73% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.03% | 91.24% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 90.32% | 98.05% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.38% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.28% | 100.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.71% | 95.58% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.59% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.94% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.79% | 96.47% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.76% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.68% | 91.81% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.56% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.34% | 96.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.10% | 82.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.72% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.09% | 97.25% |
| CHEMBL3776 | Q14790 | Caspase-8 | 80.13% | 97.06% |
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 | 11768228 |
| LOTUS | LTS0222531 |
| wikiData | Q105000223 |