(2R)-N-[(E,3S,4R)-11-(2-butylcyclopropyl)-3,4-dihydroxy-1-[(3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyundec-6-en-2-yl]-2-hydroxypentacosanamide
| Internal ID | d64fcf7b-983f-454c-b4e5-a5d69dfce325 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | (2R)-N-[(E,3S,4R)-11-(2-butylcyclopropyl)-3,4-dihydroxy-1-[(3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyundec-6-en-2-yl]-2-hydroxypentacosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C49H93NO10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-42(53)48(58)50-40(37-59-49-47(57)46(56)45(55)43(36-51)60-49)44(54)41(52)33-29-27-24-25-28-32-39-35-38(39)31-6-4-2/h27,29,38-47,49,51-57H,3-26,28,30-37H2,1-2H3,(H,50,58)/b29-27+/t38?,39?,40?,41-,42-,43?,44+,45-,46?,47+,49?/m1/s1 |
| InChI Key | TVQMRUDVRPMEND-HCPPBBLUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C49H93NO10 |
| Molecular Weight | 856.30 g/mol |
| Exact Mass | 855.67994816 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 13.40 |
| There are no found synonyms. |
![2D Structure of (2R)-N-[(E,3S,4R)-11-(2-butylcyclopropyl)-3,4-dihydroxy-1-[(3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyundec-6-en-2-yl]-2-hydroxypentacosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/6fdda760-855d-11ee-8011-93b61eda44be.jpg "2D Structure of (2R)-N-[(E,3S,4R)-11-(2-butylcyclopropyl)-3,4-dihydroxy-1-[(3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyundec-6-en-2-yl]-2-hydroxypentacosanamide")
| 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 | 98.78% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.40% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.81% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.81% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.42% | 97.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.39% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.89% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.88% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 93.89% | 92.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.50% | 95.58% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.92% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.02% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.52% | 96.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.07% | 91.81% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.39% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.13% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.10% | 96.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.98% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.01% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.94% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.51% | 98.75% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.48% | 89.63% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.42% | 91.24% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 86.17% | 92.32% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.95% | 97.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.90% | 97.79% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.11% | 95.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.93% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.46% | 92.08% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.54% | 96.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.40% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.67% | 89.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.65% | 98.05% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.94% | 82.50% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.77% | 94.66% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.60% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.40% | 96.90% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.35% | 92.88% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.00% | 85.94% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.99% | 97.21% |
| CHEMBL240 | Q12809 | HERG | 80.95% | 89.76% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.82% | 98.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.24% | 95.93% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.15% | 95.83% |
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.
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| There are no matching plants. |
| PubChem | 163025073 |
| LOTUS | LTS0183594 |
| wikiData | Q105265484 |