(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide
| Internal ID | a580a4e7-fc98-41c6-a2f3-44fd782e47dd |
| 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-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H101NO15/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-40(57)50(64)53-38(43(59)39(56)33-31-29-27-25-14-12-10-8-6-4-2)37-65-51-47(63)49(44(60)42(36-55)66-51)68-52-46(62)45(61)48(67-52)41(58)35-54/h38-49,51-52,54-63H,3-37H2,1-2H3,(H,53,64)/t38-,39+,40+,41+,42+,43-,44-,45+,46+,47+,48-,49-,51-,52-/m0/s1 |
| InChI Key | OMNMNQZRBOEACG-USPOJUJISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C52H101NO15 |
| Molecular Weight | 980.40 g/mol |
| Exact Mass | 979.71712151 g/mol |
| Topological Polar Surface Area (TPSA) | 268.00 Ų |
| XlogP | 11.50 |
| There are no found synonyms. |
![2D Structure of (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyhexadecan-2-yl]-2-hydroxytetracosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/94db0d90-8733-11ee-871c-113c460cddc7.jpg "2D Structure of (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyhexadecan-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.59% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.25% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.09% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.06% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.70% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.48% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.28% | 93.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 92.83% | 91.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.43% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.76% | 92.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 91.25% | 91.81% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.78% | 94.33% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.76% | 95.58% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.72% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.23% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.82% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.60% | 97.21% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 89.53% | 92.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.12% | 92.08% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.77% | 98.05% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 87.81% | 90.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.74% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.37% | 96.47% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.30% | 85.94% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.94% | 92.88% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.39% | 96.38% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.03% | 89.63% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.64% | 82.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.56% | 95.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.91% | 95.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.56% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.19% | 96.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.78% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.04% | 94.66% |
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 | 101675581 |
| LOTUS | LTS0081699 |
| wikiData | Q105194414 |