(2R,3R,4S,5S,6R)-2-[(3S,5S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 66cf966e-166a-492b-8a9c-0272144711c0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(3S,5S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | CCCCC[C@@H](C[C@H](CCC1=CC(=C(C=C1)O)OC)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChI | InChI=1S/C23H38O9/c1-3-4-5-6-16(31-23-22(29)21(28)20(27)19(13-24)32-23)12-15(25)9-7-14-8-10-17(26)18(11-14)30-2/h8,10-11,15-16,19-29H,3-7,9,12-13H2,1-2H3/t15-,16-,19+,20+,21-,22+,23+/m0/s1 |
| InChI Key | IJSYHUFAWPXPKA-MTLKXPBVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H38O9 |
| Molecular Weight | 458.50 g/mol |
| Exact Mass | 458.25158279 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[(3S,5S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/e0f1cc80-8815-11ee-a68e-35e276aee6bf.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[(3S,5S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.15% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.72% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.00% | 97.25% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.06% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.68% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.38% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.05% | 93.31% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.26% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.24% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.06% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.67% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.08% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.73% | 93.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.15% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.77% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.65% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.59% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.76% | 89.62% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.44% | 92.88% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.57% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.19% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.47% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.22% | 97.09% |
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.
| Zingiber officinale |
| PubChem | 10504082 |
| LOTUS | LTS0192380 |
| wikiData | Q105114114 |