(2R)-N-[(E,2S,3S,4R)-1-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoctadec-6-en-2-yl]-2-hydroxydocosanamide
| Internal ID | a4e875a8-fbe9-4f59-af0c-53ca8be11479 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | (2R)-N-[(E,2S,3S,4R)-1-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoctadec-6-en-2-yl]-2-hydroxydocosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H102N2O15/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(60)52(67)56-40(46(61)41(59)34-32-30-28-26-24-17-15-13-11-9-7-5-2)37-68-54-51(66)50(65)48(63)44(71-54)38-69-53-45(55-39(3)58)49(64)47(62)43(36-57)70-53/h30,32,40-51,53-54,57,59-66H,4-29,31,33-38H2,1-3H3,(H,55,58)(H,56,67)/b32-30+/t40-,41+,42+,43+,44+,45+,46-,47+,48+,49+,50-,51+,53+,54+/m0/s1 |
| InChI Key | HCXTUVDHEMFDJT-XWBZZLAWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C54H102N2O15 |
| Molecular Weight | 1019.40 g/mol |
| Exact Mass | 1018.72802055 g/mol |
| Topological Polar Surface Area (TPSA) | 277.00 Ų |
| XlogP | 10.40 |
| There are no found synonyms. |
![2D Structure of (2R)-N-[(E,2S,3S,4R)-1-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoctadec-6-en-2-yl]-2-hydroxydocosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/abc2a720-85c8-11ee-808e-59aeb114eaca.jpg "2D Structure of (2R)-N-[(E,2S,3S,4R)-1-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoctadec-6-en-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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.06% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.73% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.96% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.77% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.72% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.91% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.41% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.02% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.32% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.27% | 92.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.37% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.98% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.61% | 96.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.91% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.86% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.59% | 96.90% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.34% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.06% | 92.08% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.76% | 98.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.66% | 96.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.34% | 82.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.95% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.79% | 95.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.12% | 95.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.75% | 91.24% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.71% | 92.32% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.73% | 89.34% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.40% | 89.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.78% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.48% | 95.50% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.38% | 96.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.30% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.98% | 95.50% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.71% | 95.83% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.39% | 97.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.28% | 96.61% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.13% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.09% | 91.81% |
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 | 42637334 |
| LOTUS | LTS0228274 |
| wikiData | Q105026046 |