2-[2,4-dihydroxy-5-(1-hydroxyethyl)oxolan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
| Internal ID | d9ac9b9a-7e4e-44bf-8d61-7802ce75bedb |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Disaccharides |
| IUPAC Name | 2-[2,4-dihydroxy-5-(1-hydroxyethyl)oxolan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid |
| SMILES (Canonical) | CC1C(C(C(C(O1)O)OC2C(C(C=C(O2)C(=O)O)O)O)O)O.CC(C1C(C(C(O1)O)OC2C(C(C=C(O2)C(=O)O)O)O)O)O.CC(C(C(C(C=O)OC1C(C(C=C(O1)C(=O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)O)OC2C(C(C=C(O2)C(=O)O)O)O)O)O.CC(C1C(C(C(O1)O)OC2C(C(C=C(O2)C(=O)O)O)O)O)O.CC(C(C(C(C=O)OC1C(C(C=C(O1)C(=O)O)O)O)O)O)O |
| InChI | InChI=1S/3C12H18O10/c1-3(13)8-7(16)9(11(19)21-8)22-12-6(15)4(14)2-5(20-12)10(17)18;1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18;1-4(14)8(16)10(18)7(3-13)22-12-9(17)5(15)2-6(21-12)11(19)20/h2*2-4,6-9,11-16,19H,1H3,(H,17,18);2-5,7-10,12,14-18H,1H3,(H,19,20) |
| InChI Key | QTFMZFFFDJZCGQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H54O30 |
| Molecular Weight | 966.80 g/mol |
| Exact Mass | 966.26999030 g/mol |
| Topological Polar Surface Area (TPSA) | 506.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of 2-[2,4-dihydroxy-5-(1-hydroxyethyl)oxolan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/43a79dc0-8564-11ee-b53c-c5790682cfe8.jpg "2D Structure of 2-[2,4-dihydroxy-5-(1-hydroxyethyl)oxolan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid;3,4-dihydroxy-2-(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.55% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.02% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.54% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.80% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.50% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.83% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.80% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.55% | 89.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.13% | 87.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.42% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.79% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.17% | 94.45% |
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.
| Arabidopsis thaliana |
| PubChem | 163192725 |
| LOTUS | LTS0197605 |
| wikiData | Q105227682 |