Ellagic acid arabinoside
| Internal ID | 6289ef3a-0384-4016-a241-dfea85230a9b |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 6,7,14-trihydroxy-13-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione |
| SMILES (Canonical) | C1C(C(C(C(O1)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)O)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)O)O)O |
| InChI | InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11-,14+,19-/m0/s1 |
| InChI Key | KNURQRIPZJJYQO-FYZLSVPNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H14O12 |
| Molecular Weight | 434.30 g/mol |
| Exact Mass | 434.04852588 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | -0.60 |
| DTXSID401341722 |
| 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 | 99.82% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.02% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.74% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.65% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.07% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.97% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.73% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.87% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.87% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.21% | 95.89% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.68% | 83.57% |
| CHEMBL3194 | P02766 | Transthyretin | 84.89% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.88% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.59% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.58% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.41% | 100.00% |
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.
| Rubus idaeus |
| PubChem | 101757026 |
| LOTUS | LTS0185504 |
| wikiData | Q105143590 |