2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol
| Internal ID | 4d5afbe6-115a-409b-9f26-54bb46dfc470 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(C)(C=C)OC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O |
| SMILES (Isomeric) | CC(C)(C=C)OC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O |
| InChI | InChI=1S/C16H28O10/c1-4-15(2,3)26-13-11(20)10(19)9(18)8(25-13)5-23-14-12(21)16(22,6-17)7-24-14/h4,8-14,17-22H,1,5-7H2,2-3H3 |
| InChI Key | BUKBJIBZOCTYLQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H28O10 |
| Molecular Weight | 380.39 g/mol |
| Exact Mass | 380.16824709 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | -2.60 |
| There are no found synonyms. |
![2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/f8e43af0-8554-11ee-959c-99d0aeed61b0.jpg "2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-methylbut-3-en-2-yloxy)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 | 97.46% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.28% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.22% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.17% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.58% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.54% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.75% | 97.36% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.81% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.55% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.31% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.13% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.82% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.51% | 86.92% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.38% | 96.90% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.30% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.24% | 94.45% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 80.68% | 97.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.66% | 94.73% |
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.
| Glehnia littoralis |
| PubChem | 73104162 |
| LOTUS | LTS0068988 |
| wikiData | Q105329951 |