[3,4,5-trihydroxy-6-[(2-oxo-3a,6,7,7a-tetrahydro-3H-1-benzofuran-6-yl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | 7acbb7bc-c2c3-4afe-8eeb-1b0e64fdec0c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
| IUPAC Name | [3,4,5-trihydroxy-6-[(2-oxo-3a,6,7,7a-tetrahydro-3H-1-benzofuran-6-yl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1C(C=CC2C1OC(=O)C2)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C=CC2C1OC(=O)C2)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
| InChI | InChI=1S/C21H24O12/c22-11-3-9(4-12(23)16(11)25)20(29)30-7-14-17(26)18(27)19(28)21(33-14)31-10-2-1-8-5-15(24)32-13(8)6-10/h1-4,8,10,13-14,17-19,21-23,25-28H,5-7H2 |
| InChI Key | JYVGNHNOXKRLML-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O12 |
| Molecular Weight | 468.40 g/mol |
| Exact Mass | 468.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of [3,4,5-trihydroxy-6-[(2-oxo-3a,6,7,7a-tetrahydro-3H-1-benzofuran-6-yl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/b37d6420-86b4-11ee-b831-65f1439b566d.jpg "2D Structure of [3,4,5-trihydroxy-6-[(2-oxo-3a,6,7,7a-tetrahydro-3H-1-benzofuran-6-yl)oxy]oxan-2-yl]methyl 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 | 99.17% | 91.11% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.32% | 95.64% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.20% | 83.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.06% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.44% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.10% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.38% | 91.49% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.14% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.03% | 89.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.77% | 80.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.45% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.14% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.98% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.74% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.88% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.61% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.54% | 85.14% |
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.
| Glochidion zeylanicum |
| PubChem | 73106204 |
| LOTUS | LTS0082739 |
| wikiData | Q105137227 |