2-(Hydroxymethyl)-6-[4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-yloxy]oxane-3,4,5-triol
| Internal ID | 3fa94197-b6de-4f66-a50f-4f65ca09794b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-(hydroxymethyl)-6-[4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-yloxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC(C=CC12C(CC(CC1(O2)C)O)(C)C)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | CC(C=CC12C(CC(CC1(O2)C)O)(C)C)OC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3 |
| InChI Key | RIUMIKAUMHZQMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H32O8 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-yloxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/fdec4830-86d1-11ee-8c4d-6b4f626260f7.jpg "2D Structure of 2-(Hydroxymethyl)-6-[4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-yloxy]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.99% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.63% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.45% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.75% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.16% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.21% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.05% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.75% | 83.82% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.43% | 95.83% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.97% | 92.32% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 82.11% | 97.88% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.90% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.31% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.03% | 95.89% |
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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| PubChem | 75995908 |
| LOTUS | LTS0270804 |
| wikiData | Q105237157 |