1,5-Dimethyl-8-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-6-oxabicyclo[3.2.1]octan-3-one
| Internal ID | 556140dc-a0b1-446a-8f70-44475e61a44c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 1,5-dimethyl-8-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-6-oxabicyclo[3.2.1]octan-3-one |
| SMILES (Canonical) | CC(CCC1C2(CC(=O)CC1(OC2)C)C)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | CC(CCC1C2(CC(=O)CC1(OC2)C)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/h10,12-17,20,22-24H,4-9H2,1-3H3 |
| InChI Key | NHBZLCKNKDGZTQ-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) | 126.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 1,5-Dimethyl-8-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-6-oxabicyclo[3.2.1]octan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/318f8590-8561-11ee-95c7-f187cc3a20dd.jpg "2D Structure of 1,5-Dimethyl-8-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-6-oxabicyclo[3.2.1]octan-3-one")
| 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 | 98.71% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 96.36% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.24% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.28% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.57% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.28% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.46% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.74% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.74% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.35% | 96.47% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.15% | 95.93% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.33% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.11% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.70% | 92.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.08% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.62% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.42% | 100.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.79% | 94.23% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.61% | 91.24% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.52% | 98.10% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.43% | 93.04% |
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.
| Macaranga tanarius |
| PubChem | 162929627 |
| LOTUS | LTS0096828 |
| wikiData | Q105179302 |