1,3,5-Trimethyl-2,8-bis(2-oxoheptyl)-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione
| Internal ID | c55d6afc-aa44-47e9-8a03-1027c6aad935 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 1,3,5-trimethyl-2,8-bis(2-oxoheptyl)-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H36O5/c1-6-8-10-12-17(25)14-19-16(3)21(27)24(5)20(23(19,4)22(28)29-24)15-18(26)13-11-9-7-2/h20H,6-15H2,1-5H3 |
| InChI Key | ZSFDLWIESMGFDS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O5 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 1,3,5-Trimethyl-2,8-bis(2-oxoheptyl)-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/135-trimethyl-28-bis2-oxoheptyl-6-oxabicyclo321oct-2-ene-47-dione.jpg "2D Structure of 1,3,5-Trimethyl-2,8-bis(2-oxoheptyl)-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 96.40% | 89.76% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.24% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.58% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.52% | 85.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.41% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.94% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.40% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.65% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.16% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.48% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.27% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.19% | 92.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.20% | 95.17% |
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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| There are no matching plants. |
| PubChem | 163037590 |
| LOTUS | LTS0234724 |
| wikiData | Q104202745 |