2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,7-dimethylocta-2,6-dienoxy)oxane-3,4,5-triol
| Internal ID | e1b130c8-e297-4395-9817-773cee17fb8f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,7-dimethylocta-2,6-dienoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCOC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O)C)C |
| InChI | InChI=1S/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3 |
| InChI Key | RFFYIBOJHUSIGD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O10 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.23084734 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | -0.50 |
| 120163-17-9 |
![2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,7-dimethylocta-2,6-dienoxy)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/6ee80cd0-82c9-11ee-ba4c-43d95acaf4f7.jpg "2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,7-dimethylocta-2,6-dienoxy)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 | 98.38% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.20% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.28% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.13% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.18% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.61% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.23% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.76% | 100.00% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.51% | 97.78% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.13% | 98.95% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.82% | 92.32% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.79% | 92.08% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.73% | 97.36% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.64% | 96.90% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.37% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.86% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.25% | 92.94% |
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.
| Hypoxis acuminata |
| Hypoxis obtusa |
| PubChem | 73815004 |
| LOTUS | LTS0185806 |
| wikiData | Q105235375 |