(13R)-13-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-13-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytridecan-4-one
| Internal ID | afdb47c9-a5ff-4215-a127-86c466aa3dbd |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (13R)-13-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-13-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytridecan-4-one |
| SMILES (Canonical) | C(CCCCC(=O)CCCOC1C(C(C(C(O1)CO)O)O)O)CCCC(C2C(C(C(N2)CO)O)O)O |
| SMILES (Isomeric) | C(CCCCC(=O)CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CCC[C@H]([C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O)O |
| InChI | InChI=1S/C24H45NO11/c26-12-15-19(30)21(32)18(25-15)16(29)10-6-4-2-1-3-5-8-14(28)9-7-11-35-24-23(34)22(33)20(31)17(13-27)36-24/h15-27,29-34H,1-13H2/t15-,16-,17-,18-,19-,20-,21-,22+,23-,24-/m1/s1 |
| InChI Key | YDJUFHORKVAZOQ-OLJDYZOCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H45NO11 |
| Molecular Weight | 523.60 g/mol |
| Exact Mass | 523.29926125 g/mol |
| Topological Polar Surface Area (TPSA) | 209.00 Ų |
| XlogP | -0.80 |
| There are no found synonyms. |
![2D Structure of (13R)-13-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-13-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytridecan-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/b9d74220-8818-11ee-87e5-71197d094338.jpg "2D Structure of (13R)-13-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-13-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytridecan-4-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.19% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.15% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.89% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 91.22% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.49% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.96% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.83% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.08% | 96.47% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.31% | 92.50% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.82% | 95.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.33% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.95% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.75% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.62% | 95.89% |
| CHEMBL2360 | P00492 | Hypoxanthine-guanine phosphoribosyltransferase | 82.50% | 87.38% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.35% | 91.24% |
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.
| Broussonetia kazinoki |
| Broussonetia papyrifera |
| PubChem | 10530062 |
| LOTUS | LTS0118556 |
| wikiData | Q105346771 |