(3R,4S,5R,6R)-3,4,5,6,7-pentahydroxy-1-(3,4,5-trihydroxyphenyl)heptane-1,2-dione
| Internal ID | 56d82c7f-7d51-42ec-9f3c-6cd2dc11168e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Heptoses |
| IUPAC Name | (3R,4S,5R,6R)-3,4,5,6,7-pentahydroxy-1-(3,4,5-trihydroxyphenyl)heptane-1,2-dione |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)C(C(C(C(CO)O)O)O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| InChI | InChI=1S/C13H16O10/c14-3-7(17)10(20)12(22)13(23)11(21)8(18)4-1-5(15)9(19)6(16)2-4/h1-2,7,10,12-17,19-20,22-23H,3H2/t7-,10-,12+,13+/m1/s1 |
| InChI Key | DBRTVGVPALWICI-SJFDICSNSA-N |
| Popularity | 353 references in papers |
| Molecular Formula | C13H16O10 |
| Molecular Weight | 332.26 g/mol |
| Exact Mass | 332.07434670 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | -3.00 |
| W-201115 |
| 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 | 97.99% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.51% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.96% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.15% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.24% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.08% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.41% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.99% | 95.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.06% | 98.75% |
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.
| Arctostaphylos uva-ursi |
| Fragaria × ananassa |
| Pistacia lentiscus |
| Punica granatum |
| Ribes nigrum |
| Vitis vinifera |
| PubChem | 21120298 |
| LOTUS | LTS0073787 |
| wikiData | Q104974757 |