(2R,3R,4S,5S,6R)-2-[(1S,3S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3-(hydroxymethyl)-3,5-dimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 71f7b55c-6cbb-44f2-be73-8522e5a58730 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(1S,3S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3-(hydroxymethyl)-3,5-dimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H36O8/c1-10-6-12(7-19(3,9-21)13(10)5-4-11(2)22)26-18-17(25)16(24)15(23)14(8-20)27-18/h10-18,20-25H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15-,16+,17-,18-,19-/m1/s1 |
| InChI Key | HLMBNQSAJFYETD-LRLXOWGESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H36O8 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[(1S,3S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3-(hydroxymethyl)-3,5-dimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/5fae9fe0-834b-11ee-b649-65d8170cd119.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[(1S,3S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3-(hydroxymethyl)-3,5-dimethylcyclohexyl]oxy-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 | 97.73% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.50% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.68% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.86% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.33% | 97.79% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.76% | 96.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.60% | 96.61% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.39% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.99% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.29% | 96.21% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.45% | 92.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.87% | 98.95% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 86.13% | 97.64% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.37% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.81% | 96.95% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 82.09% | 97.88% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.62% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.22% | 95.89% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.18% | 80.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.99% | 93.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.37% | 97.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.30% | 86.92% |
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.
| Staphylea ternata |
| PubChem | 10949223 |
| LOTUS | LTS0198653 |
| wikiData | Q105030201 |