2-({[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol
| Internal ID | b8b0e50e-e741-478f-bddb-8a43b9b53bd1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1=CC(=CC(=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)O |
| InChI | InChI=1S/C18H26O11/c1-8-2-9(20)4-10(3-8)28-16-14(23)13(22)12(21)11(29-16)5-26-17-15(24)18(25,6-19)7-27-17/h2-4,11-17,19-25H,5-7H2,1H3 |
| InChI Key | XEGUBLZOESPNQE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26O11 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of 2-({[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/8def8a80-8650-11ee-827e-3126ff78adca.jpg "2D Structure of 2-({[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol")
| 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 | 98.99% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.46% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.95% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.42% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.73% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.37% | 97.36% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.36% | 93.18% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.27% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.44% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.41% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.33% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.31% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.28% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.62% | 86.33% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.91% | 80.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.33% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.29% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.73% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.58% | 96.95% |
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.
| Curculigo orchioides |
| PubChem | 72786973 |
| LOTUS | LTS0019997 |
| wikiData | Q105326337 |