(2S,3R,4S,5S,6R)-2-[(3S,6R)-3,6-dihydroxy-2,6-dimethyloct-7-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | cafcd735-8a3c-44d2-9bb6-a28e566eeaca |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(3S,6R)-3,6-dihydroxy-2,6-dimethyloct-7-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(C)(C(CCC(C)(C=C)O)O)OC1C(C(C(C(O1)CO)O)O)O |
| SMILES (Isomeric) | C[C@@](CC[C@@H](C(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)(C=C)O |
| InChI | InChI=1S/C16H30O8/c1-5-16(4,22)7-6-10(18)15(2,3)24-14-13(21)12(20)11(19)9(8-17)23-14/h5,9-14,17-22H,1,6-8H2,2-4H3/t9-,10+,11-,12+,13-,14+,16+/m1/s1 |
| InChI Key | DAGSQWZZMKIIOU-YECZKKJWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H30O8 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | -1.20 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S,6R)-2-[(3S,6R)-3,6-dihydroxy-2,6-dimethyloct-7-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/835f1660-8626-11ee-a147-2932b424e70e.jpg "2D Structure of (2S,3R,4S,5S,6R)-2-[(3S,6R)-3,6-dihydroxy-2,6-dimethyloct-7-en-2-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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.68% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.15% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.91% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.00% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.34% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.13% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.75% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.34% | 97.25% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.18% | 90.93% |
| CHEMBL3589 | P55263 | Adenosine kinase | 85.45% | 98.05% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.94% | 97.36% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 84.53% | 99.43% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.25% | 97.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.28% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.64% | 95.89% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.54% | 95.58% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.34% | 97.29% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.04% | 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.
| Diplospora dubia |
| PubChem | 101439388 |
| LOTUS | LTS0194764 |
| wikiData | Q104973533 |