Trimethyl 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropane-1,2,3-tricarboxylate
| Internal ID | 4f0d5a23-3527-4369-b0bf-f3a6976aafa8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | trimethyl 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropane-1,2,3-tricarboxylate |
| SMILES (Canonical) | COC(=O)CC(CC(=O)OC)(C(=O)OC)OC1C(C(C(C(O1)CO)O)O)O |
| SMILES (Isomeric) | COC(=O)CC(CC(=O)OC)(C(=O)OC)OC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI=1S/C15H24O12/c1-23-8(17)4-15(14(22)25-3,5-9(18)24-2)27-13-12(21)11(20)10(19)7(6-16)26-13/h7,10-13,16,19-21H,4-6H2,1-3H3 |
| InChI Key | GTGRGAOFROOWEL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O12 |
| Molecular Weight | 396.34 g/mol |
| Exact Mass | 396.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | -2.60 |
| There are no found synonyms. |
![2D Structure of Trimethyl 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropane-1,2,3-tricarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/trimethyl-2-345-trihydroxy-6-hydroxymethyloxan-2-yloxypropane-123-tricarboxylate.jpg "2D Structure of Trimethyl 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropane-1,2,3-tricarboxylate")
| 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 | 99.52% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.85% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.43% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.82% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.02% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.62% | 94.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.78% | 91.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.45% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.39% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.71% | 86.92% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.38% | 92.50% |
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.
| Gastrodia elata |
| PubChem | 162908618 |
| LOTUS | LTS0204008 |
| wikiData | Q105018664 |