(2R)-N-[(2S,3S,4R,14R)-3,4-dihydroxy-14-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]-2-hydroxydocosanamide
| Internal ID | 9f9a3ac8-dd9d-40bd-8ed0-7d7b370bb644 |
| 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,14R)-3,4-dihydroxy-14-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]-2-hydroxydocosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H89NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-23-20-21-24-27-30-35(3)5-2/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t35-,36+,37-,38-,39-,40+,41-,42+,43-,45-/m1/s1 |
| InChI Key | YCNJUALTJHZPNL-PRKFGYCASA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C45H89NO10 |
| Molecular Weight | 804.20 g/mol |
| Exact Mass | 803.64864804 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 12.30 |
| There are no found synonyms. |
![2D Structure of (2R)-N-[(2S,3S,4R,14R)-3,4-dihydroxy-14-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]-2-hydroxydocosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/e2f02940-8729-11ee-8138-19b0a003f81f.jpg "2D Structure of (2R)-N-[(2S,3S,4R,14R)-3,4-dihydroxy-14-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.82% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.81% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.36% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.23% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.40% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.70% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.02% | 83.82% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 91.53% | 98.05% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.26% | 94.73% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.14% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.83% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.56% | 92.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.26% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.82% | 91.11% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 88.31% | 90.24% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.95% | 82.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.60% | 97.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.53% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.69% | 96.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.51% | 96.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.35% | 89.34% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.35% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.73% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.38% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.24% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.60% | 95.93% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.53% | 97.06% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.06% | 87.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.78% | 92.08% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.67% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.46% | 94.66% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.43% | 91.81% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.24% | 92.88% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.13% | 95.58% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.35% | 98.75% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.24% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.12% | 96.95% |
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 | 162854799 |
| LOTUS | LTS0133732 |
| wikiData | Q104665540 |