(1S,2S,5R,8R)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane
| Internal ID | 4dc24af0-6baa-4ddb-8609-70670b25ccbf |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | (1S,2S,5R,8R)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane |
| SMILES (Canonical) | CC(C)C1CCC2(C13CCC(O3)(CC2)C)C |
| SMILES (Isomeric) | CC(C)[C@@H]1CC[C@]2([C@]13CC[C@](O3)(CC2)C)C |
| InChI | InChI=1S/C15H26O/c1-11(2)12-5-6-13(3)7-8-14(4)9-10-15(12,13)16-14/h11-12H,5-10H2,1-4H3/t12-,13+,14+,15-/m0/s1 |
| InChI Key | WABYSPBNXHXFIQ-YJNKXOJESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O |
| Molecular Weight | 222.37 g/mol |
| Exact Mass | 222.198365449 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (1S,2S,5R,8R)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s5r8r-58-dimethyl-2-propan-2-yl-11-oxatricyclo621015undecane.jpg "2D Structure of (1S,2S,5R,8R)-5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.54% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.78% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.60% | 96.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.59% | 99.18% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.39% | 95.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.75% | 97.14% |
| CHEMBL3869 | P50281 | Matrix metalloproteinase 14 | 84.98% | 93.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.85% | 94.75% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.28% | 98.05% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.74% | 92.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.03% | 95.89% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 81.90% | 88.81% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.73% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.86% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.65% | 97.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.22% | 95.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.14% | 97.79% |
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.
| Daucus carota |
| PubChem | 162858197 |
| LOTUS | LTS0072600 |
| wikiData | Q105300110 |