(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,4S,5R)-4-[(3S)-4-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-3,3,5-trimethylcyclohexyl]oxyoxane-3,4,5-triol
| Internal ID | 1cb76fed-c1c8-4aa7-b200-befc28dbaf0d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,4S,5R)-4-[(3S)-4-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-3,3,5-trimethylcyclohexyl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | CC1CC(CC(C1CCC(CO)OC2C(C(C(CO2)O)O)O)(C)C)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | C[C@@H]1C[C@@H](CC([C@H]1CC[C@@H](CO)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChI | InChI=1S/C24H44O12/c1-11-6-13(35-23-21(32)19(30)18(29)16(9-26)36-23)7-24(2,3)14(11)5-4-12(8-25)34-22-20(31)17(28)15(27)10-33-22/h11-23,25-32H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1 |
| InChI Key | GWLFSUPWPHIRQN-BVLYIWBFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H44O12 |
| Molecular Weight | 524.60 g/mol |
| Exact Mass | 524.28327683 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,4S,5R)-4-[(3S)-4-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-3,3,5-trimethylcyclohexyl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/8993a280-8538-11ee-88d3-d756b6d9a692.jpg "2D Structure of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,4S,5R)-4-[(3S)-4-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-3,3,5-trimethylcyclohexyl]oxyoxane-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 | 98.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.70% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.28% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.60% | 97.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.86% | 97.64% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.06% | 97.79% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.43% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.83% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.97% | 96.61% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.05% | 86.92% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.97% | 92.86% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.91% | 96.47% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.36% | 95.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.35% | 98.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.99% | 98.95% |
| CHEMBL3589 | P55263 | Adenosine kinase | 82.64% | 98.05% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.50% | 96.21% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.28% | 80.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.18% | 96.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.04% | 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.
| Sedum sarmentosum |
| PubChem | 23582983 |
| LOTUS | LTS0229339 |
| wikiData | Q105022488 |