2-[4-(3-Hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | ff833346-eca9-45f2-b663-c87f1f7603de |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-[4-(3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(C=CC1C2(CC(CC1(OC2)C)O)C)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | CC(C=CC1C2(CC(CC1(OC2)C)O)C)OC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(8-20)27-17)4-5-13-18(2)6-11(21)7-19(13,3)25-9-18/h4-5,10-17,20-24H,6-9H2,1-3H3 |
| InChI Key | WOGLMZTXOUNIQM-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) | 129.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 2-[4-(3-Hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)but-3-en-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/3c48b720-84c3-11ee-95be-2b6f6d1e8f4f.jpg "2D Structure of 2-[4-(3-Hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)but-3-en-2-yloxy]-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 | 97.39% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.18% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.67% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.67% | 95.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.55% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.55% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.15% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.87% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.40% | 98.10% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.37% | 97.47% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.76% | 83.82% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.76% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.60% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.29% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.57% | 90.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.69% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.45% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.42% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.41% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.25% | 98.75% |
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.
| Breynia vitis-idaea |
| PubChem | 85417632 |
| LOTUS | LTS0263213 |
| wikiData | Q105309501 |