[2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-aminopropanoate
| Internal ID | 5268ad63-e507-47a0-8f8d-5276ecbeca40 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters > Alpha-amino acyl ester of carbohydrates |
| IUPAC Name | [2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-aminopropanoate |
| SMILES (Canonical) | CC(C(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)O)CO)CO)O)O)N |
| SMILES (Isomeric) | CC(C(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)O)CO)CO)O)O)N |
| InChI | InChI=1S/C15H27NO12/c1-5(16)13(24)26-11-10(22)8(20)6(2-17)25-14(11)28-15(4-19)12(23)9(21)7(3-18)27-15/h5-12,14,17-23H,2-4,16H2,1H3 |
| InChI Key | LJCFNEWFKJURHR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H27NO12 |
| Molecular Weight | 413.37 g/mol |
| Exact Mass | 413.15332530 g/mol |
| Topological Polar Surface Area (TPSA) | 222.00 Ų |
| XlogP | -3.60 |
| There are no found synonyms. |
![2D Structure of [2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-aminopropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1d980b40-861b-11ee-a7b0-fdb17e60a3f3.jpg "2D Structure of [2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-aminopropanoate")
| 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 | 98.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.98% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.85% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.38% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.91% | 97.09% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.79% | 82.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.20% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.57% | 94.73% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.72% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.85% | 98.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.58% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.31% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.04% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.62% | 86.92% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.63% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.51% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.37% | 97.79% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.31% | 94.00% |
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.
| Ipomoea batatas |
| PubChem | 73122875 |
| LOTUS | LTS0257458 |
| wikiData | Q105152484 |