(2R,3S,5S)-2-[(3S)-3,6-dihydroxy-2,6-dimethyloct-7-en-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
| Internal ID | 7e198ee9-6291-425a-b018-ed8c3fe8ae68 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3S,5S)-2-[(3S)-3,6-dihydroxy-2,6-dimethyloct-7-en-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H30O9/c1-5-15(4,22)7-6-10(18)14(2,3)25-16(23)13(21)12(20)11(19)9(8-17)24-16/h5,9-13,17-23H,1,6-8H2,2-4H3/t9?,10-,11+,12?,13-,15?,16+/m0/s1 |
| InChI Key | LKIVYIWNTFILRN-YGTZHPSMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H30O9 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.18898253 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of (2R,3S,5S)-2-[(3S)-3,6-dihydroxy-2,6-dimethyloct-7-en-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s5s-2-3s-36-dihydroxy-26-dimethyloct-7-en-2-yloxy-6-hydroxymethyloxane-2345-tetrol.jpg "2D Structure of (2R,3S,5S)-2-[(3S)-3,6-dihydroxy-2,6-dimethyloct-7-en-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol")
| 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 | 93.68% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.22% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.79% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.81% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.54% | 97.79% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 86.72% | 99.43% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.97% | 90.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.95% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.93% | 93.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.50% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.48% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.31% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.05% | 96.90% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.02% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.40% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.17% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.49% | 93.18% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.06% | 100.00% |
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 | 162817504 |
| LOTUS | LTS0095356 |
| wikiData | Q105153071 |