(2R,3S,26R,27S)-2,27-diamino-1,26-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosan-11-one
| Internal ID | e24ed11f-464a-40eb-9739-1bf2e5707a8e |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3S,26R,27S)-2,27-diamino-1,26-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosan-11-one |
| SMILES (Canonical) | CC(C(CCCCCCCCCCCCCCC(=O)CCCCCCCC(C(CO)N)OC1C(C(C(C(O1)CO)O)O)O)O)N |
| SMILES (Isomeric) | C[C@@H]([C@@H](CCCCCCCCCCCCCCC(=O)CCCCCCC[C@@H]([C@@H](CO)N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)N |
| InChI | InChI=1S/C34H68N2O9/c1-25(35)28(40)21-17-13-9-7-5-3-2-4-6-8-11-15-19-26(39)20-16-12-10-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3/t25-,27+,28+,29-,30+,31+,32-,33+,34+/m0/s1 |
| InChI Key | MTILEUGHINFLTP-RELIMTOASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H68N2O9 |
| Molecular Weight | 648.90 g/mol |
| Exact Mass | 648.49248175 g/mol |
| Topological Polar Surface Area (TPSA) | 209.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (2R,3S,26R,27S)-2,27-diamino-1,26-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosan-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/53c7dca0-861f-11ee-a7a6-172abf4c146a.jpg "2D Structure of (2R,3S,26R,27S)-2,27-diamino-1,26-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosan-11-one")
| 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 | 99.05% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.00% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 96.98% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.99% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.52% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.96% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.67% | 98.95% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.14% | 93.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.83% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.17% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.22% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.53% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.78% | 92.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.87% | 95.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.75% | 93.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.70% | 87.45% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.55% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.89% | 86.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.79% | 90.71% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.77% | 82.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.50% | 100.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.32% | 92.32% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.30% | 94.33% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.21% | 98.05% |
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 | 162870636 |
| LOTUS | LTS0083743 |
| wikiData | Q105171722 |