Methyl 3,4,5-triacetyloxy-6-[4,5-diacetyloxy-6-(1,2-diacetyloxyethyl)-2-methoxyoxan-3-yl]oxyoxane-2-carboxylate
| Internal ID | c34cd223-ebf7-4194-9421-8b6fbea473a4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glucuronides > O-glucuronides |
| IUPAC Name | methyl 3,4,5-triacetyloxy-6-[4,5-diacetyloxy-6-(1,2-diacetyloxyethyl)-2-methoxyoxan-3-yl]oxyoxane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H40O20/c1-11(30)40-10-18(41-12(2)31)19-20(42-13(3)32)22(44-15(5)34)25(28(39-9)47-19)49-29-26(46-17(7)36)23(45-16(6)35)21(43-14(4)33)24(48-29)27(37)38-8/h18-26,28-29H,10H2,1-9H3 |
| InChI Key | MXXVAQCPDCTPOB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O20 |
| Molecular Weight | 708.60 g/mol |
| Exact Mass | 708.21129366 g/mol |
| Topological Polar Surface Area (TPSA) | 247.00 Ų |
| XlogP | -0.80 |
| There are no found synonyms. |
![2D Structure of Methyl 3,4,5-triacetyloxy-6-[4,5-diacetyloxy-6-(1,2-diacetyloxyethyl)-2-methoxyoxan-3-yl]oxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/90ef08b0-86ad-11ee-a92c-eda1d21899d3.jpg "2D Structure of Methyl 3,4,5-triacetyloxy-6-[4,5-diacetyloxy-6-(1,2-diacetyloxyethyl)-2-methoxyoxan-3-yl]oxyoxane-2-carboxylate")
| 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 | 96.62% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.18% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.40% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.61% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.25% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.97% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.95% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.13% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.79% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.52% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.27% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.09% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.83% | 92.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.69% | 89.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.42% | 95.71% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.57% | 93.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163049732 |
| LOTUS | LTS0037458 |
| wikiData | Q105155439 |