(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(5R)-5-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxyoxane-3,4,5-triol
| Internal ID | 5538a393-a3b9-4a24-afe6-ba3cad59fde8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(5R)-5-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | CC1=C(C(C(CC1)O)(C)C)CCC(C)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | CC1=C(C([C@@H](CC1)O)(C)C)CC[C@@H](C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O |
| InChI | InChI=1S/C19H34O7/c1-10-5-8-14(21)19(3,4)12(10)7-6-11(2)25-18-17(24)16(23)15(22)13(9-20)26-18/h11,13-18,20-24H,5-9H2,1-4H3/t11-,13-,14-,15+,16+,17-,18-/m1/s1 |
| InChI Key | ROTRZDNJZBPLJO-FRNUELBZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H34O7 |
| Molecular Weight | 374.50 g/mol |
| Exact Mass | 374.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(5R)-5-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/9c636400-85c4-11ee-8464-6ddfbf4a80e7.jpg "2D Structure of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(5R)-5-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]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 | 97.63% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.25% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.96% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.54% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.47% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.32% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.92% | 95.93% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.31% | 97.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.64% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.95% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.53% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.06% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.11% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.51% | 94.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.93% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.30% | 92.86% |
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.
| Alangium platanifolium |
| PubChem | 162972355 |
| LOTUS | LTS0171930 |
| wikiData | Q104986030 |