2-Galloyl-1,4-galactarolactone methyl ester
| Internal ID | 8218df49-a26d-4e78-81cc-9eddc39cc049 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
| IUPAC Name | [4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-oxooxolan-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | COC(=O)C(C1C(C(C(=O)O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O |
| SMILES (Isomeric) | COC(=O)C(C1C(C(C(=O)O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O |
| InChI | InChI=1S/C14H14O11/c1-23-13(21)9(19)10-8(18)11(14(22)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3 |
| InChI Key | DTDWLEXEERIYFQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H14O11 |
| Molecular Weight | 358.25 g/mol |
| Exact Mass | 358.05361126 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | -0.30 |
| CHEBI:174789 |
| [4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-oxooxolan-3-yl] 3,4,5-trihydroxybenzoate |
| 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 | 98.72% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.18% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.02% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.74% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.44% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.06% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.43% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.54% | 99.23% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.54% | 83.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.01% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.74% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 83.14% | 90.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.93% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.85% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.66% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.38% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.71% | 89.34% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.43% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.81% | 95.56% |
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.
| Phyllanthus emblica |
| PubChem | 85207469 |
| LOTUS | LTS0068118 |
| wikiData | Q104988212 |