1-[(2R,5S)-5-[(2R)-4-hydroxybutan-2-yl]-2-methyloxolan-2-yl]-4-methylpentan-2-one
| Internal ID | 5d980a0c-71c8-4e0f-8f23-fc884c2e0b69 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 1-[(2R,5S)-5-[(2R)-4-hydroxybutan-2-yl]-2-methyloxolan-2-yl]-4-methylpentan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H28O3/c1-11(2)9-13(17)10-15(4)7-5-14(18-15)12(3)6-8-16/h11-12,14,16H,5-10H2,1-4H3/t12-,14+,15-/m1/s1 |
| InChI Key | NQUGBBCWSQRMST-VHDGCEQUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H28O3 |
| Molecular Weight | 256.38 g/mol |
| Exact Mass | 256.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 1-[(2R,5S)-5-[(2R)-4-hydroxybutan-2-yl]-2-methyloxolan-2-yl]-4-methylpentan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-2r5s-5-2r-4-hydroxybutan-2-yl-2-methyloxolan-2-yl-4-methylpentan-2-one.jpg "2D Structure of 1-[(2R,5S)-5-[(2R)-4-hydroxybutan-2-yl]-2-methyloxolan-2-yl]-4-methylpentan-2-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.33% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.42% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.03% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.12% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.46% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.57% | 97.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.65% | 99.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.26% | 91.11% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 87.23% | 98.05% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.84% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.67% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.23% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.51% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.00% | 90.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.49% | 98.75% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.47% | 89.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.82% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.63% | 94.45% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.50% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.17% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.18% | 95.50% |
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.
| There are no matching plants. |
| PubChem | 163082869 |
| LOTUS | LTS0060933 |
| wikiData | Q105184090 |