(2R,3R,4S,5S,6R)-2-[(1S,4S,5R)-4-[(E,3S)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,3,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 3feb27c7-2140-4bbe-bc31-f059aad5e366 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(1S,4S,5R)-4-[(E,3S)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,3,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H34O9/c1-10-6-12(7-18(2,3)19(10,26)5-4-11(22)8-20)27-17-16(25)15(24)14(23)13(9-21)28-17/h4-5,10-17,20-26H,6-9H2,1-3H3/b5-4+/t10-,11+,12+,13-,14-,15+,16-,17-,19-/m1/s1 |
| InChI Key | FCSXIFYRVMQLAX-LIMBPXAQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H34O9 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.22028266 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[(1S,4S,5R)-4-[(E,3S)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,3,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2a70c160-8693-11ee-a969-1b2e4abca893.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[(1S,4S,5R)-4-[(E,3S)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,3,5-trimethylcyclohexyl]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 | 99.29% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.06% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.76% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.29% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.54% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.79% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.67% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.58% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.54% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.25% | 96.47% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.23% | 92.32% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.73% | 94.45% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.29% | 91.24% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.98% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.90% | 95.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.19% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.66% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.38% | 86.92% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.15% | 97.79% |
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.
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| There are no matching plants. |
| PubChem | 163024064 |
| LOTUS | LTS0133406 |
| wikiData | Q104993344 |