[2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-amino-3-methylbutanoate
| Internal ID | 8cc6b172-2031-4d28-8671-d11a1c4930bf |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-amino-3-methylbutanoate |
| SMILES (Canonical) | CC(C)C(C(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)O)CO)CO)O)O)N |
| SMILES (Isomeric) | CC(C)C(C(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)O)CO)CO)O)O)N |
| InChI | InChI=1S/C17H31NO12/c1-6(2)9(18)15(26)28-13-12(24)10(22)7(3-19)27-16(13)30-17(5-21)14(25)11(23)8(4-20)29-17/h6-14,16,19-25H,3-5,18H2,1-2H3 |
| InChI Key | HBBRYHFYNCPKGR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H31NO12 |
| Molecular Weight | 441.40 g/mol |
| Exact Mass | 441.18462542 g/mol |
| Topological Polar Surface Area (TPSA) | 222.00 Ų |
| XlogP | -2.70 |
| 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-amino-3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/45888ae0-85c3-11ee-828d-29b2a0b09e09.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-amino-3-methylbutanoate")
| 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 | 98.01% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.70% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.94% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.51% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.56% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.00% | 98.95% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.79% | 82.50% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.46% | 96.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.83% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.26% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.79% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.48% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.37% | 93.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.49% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.13% | 96.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.09% | 97.79% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.08% | 86.92% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.05% | 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 | 73122945 |
| LOTUS | LTS0263099 |
| wikiData | Q105025190 |