4,5-Dihydroxy-3-methoxy-6-(2,4,5-trihydroxyoxan-3-yl)oxyoxane-2-carboxylic acid
| Internal ID | 4f962289-fc3f-4a7f-8ef7-acc28391b02c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glucuronides > O-glucuronides |
| IUPAC Name | 4,5-dihydroxy-3-methoxy-6-(2,4,5-trihydroxyoxan-3-yl)oxyoxane-2-carboxylic acid |
| SMILES (Canonical) | COC1C(C(C(OC1C(=O)O)OC2C(C(COC2O)O)O)O)O |
| SMILES (Isomeric) | COC1C(C(C(OC1C(=O)O)OC2C(C(COC2O)O)O)O)O |
| InChI | InChI=1S/C12H20O11/c1-20-7-5(15)6(16)12(23-9(7)10(17)18)22-8-4(14)3(13)2-21-11(8)19/h3-9,11-16,19H,2H2,1H3,(H,17,18) |
| InChI Key | QCHFHXZDZVJVJC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H20O11 |
| Molecular Weight | 340.28 g/mol |
| Exact Mass | 340.10056145 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | -3.90 |
| There are no found synonyms. |
| 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 | 95.79% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.37% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.90% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.44% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.33% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.86% | 91.19% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.45% | 92.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.35% | 96.77% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.02% | 94.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.90% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.59% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.09% | 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.
| Prunus avium |
| Saccharum officinarum |
| PubChem | 14078718 |
| LOTUS | LTS0223663 |
| wikiData | Q105218231 |