2-[2-hydroxy-2-(6-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 9f4452e8-b285-4f79-be93-35d163ab4b58 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 2-[2-hydroxy-2-(6-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1(CC(CC2(C1CC=C3C2CCC(C3)(C)C(COC4C(C(C(C(O4)CO)O)O)O)O)C)O)C |
| SMILES (Isomeric) | CC1(CC(CC2(C1CC=C3C2CCC(C3)(C)C(COC4C(C(C(C(O4)CO)O)O)O)O)C)O)C |
| InChI | InChI=1S/C26H44O8/c1-24(2)10-15(28)11-26(4)16-7-8-25(3,9-14(16)5-6-18(24)26)19(29)13-33-23-22(32)21(31)20(30)17(12-27)34-23/h5,15-23,27-32H,6-13H2,1-4H3 |
| InChI Key | KSXIPKWHTMLIMK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H44O8 |
| Molecular Weight | 484.60 g/mol |
| Exact Mass | 484.30361836 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 2-[2-hydroxy-2-(6-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/d54ed200-838f-11ee-9743-033bbf0b7fde.jpg "2D Structure of 2-[2-hydroxy-2-(6-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl)ethoxy]-6-(hydroxymethyl)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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.04% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.54% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.40% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.56% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.80% | 95.89% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.99% | 97.36% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.02% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.59% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.93% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.65% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.34% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.94% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.20% | 92.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.00% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.69% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.88% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.82% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.59% | 89.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.03% | 94.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.82% | 92.88% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.40% | 91.24% |
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.
| Palafoxia arida |
| PubChem | 14488580 |
| LOTUS | LTS0060418 |
| wikiData | Q105145630 |