[3,4,5-Triacetyloxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methyl acetate
| Internal ID | b26d4e62-e0c4-490b-b8c2-79a1b0dd773b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [3,4,5-triacetyloxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | CC1=C(C(=O)C=CO1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC1=C(C(=O)C=CO1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C20H24O12/c1-9-16(14(25)6-7-26-9)32-20-19(30-13(5)24)18(29-12(4)23)17(28-11(3)22)15(31-20)8-27-10(2)21/h6-7,15,17-20H,8H2,1-5H3 |
| InChI Key | WDRJBSQMNJKJGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O12 |
| Molecular Weight | 456.40 g/mol |
| Exact Mass | 456.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Triacetyloxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/345-triacetyloxy-6-2-methyl-4-oxopyran-3-yloxyoxan-2-ylmethyl-acetate.jpg "2D Structure of [3,4,5-Triacetyloxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methyl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.44% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.20% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.77% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.98% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.00% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.14% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.08% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.00% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.36% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.34% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.26% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.62% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.88% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.55% | 93.65% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.37% | 98.95% |
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.
| Petrorhagia prolifera |
| PubChem | 14774604 |
| LOTUS | LTS0032391 |
| wikiData | Q105302606 |