[2-oxo-1-[(1S,6S)-2,2,6-trimethyl-6-[3-(5-oxo-2H-furan-4-yl)propanoyl]cyclohexyl]butyl] acetate
| Internal ID | b3410d2a-77a8-4033-9b60-2e1647c8aa84 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [2-oxo-1-[(1S,6S)-2,2,6-trimethyl-6-[3-(5-oxo-2H-furan-4-yl)propanoyl]cyclohexyl]butyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H32O6/c1-6-16(24)18(28-14(2)23)19-21(3,4)11-7-12-22(19,5)17(25)9-8-15-10-13-27-20(15)26/h10,18-19H,6-9,11-13H2,1-5H3/t18?,19-,22+/m0/s1 |
| InChI Key | QSCKCWXZUDXSMG-FGTDEGFTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H32O6 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [2-oxo-1-[(1S,6S)-2,2,6-trimethyl-6-[3-(5-oxo-2H-furan-4-yl)propanoyl]cyclohexyl]butyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-oxo-1-1s6s-226-trimethyl-6-3-5-oxo-2h-furan-4-ylpropanoylcyclohexylbutyl-acetate.jpg "2D Structure of [2-oxo-1-[(1S,6S)-2,2,6-trimethyl-6-[3-(5-oxo-2H-furan-4-yl)propanoyl]cyclohexyl]butyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.37% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.98% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.43% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.95% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.69% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.12% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.95% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.35% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.87% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.20% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.61% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.13% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.11% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.02% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.86% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.51% | 91.19% |
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.
| Lagopsis supina |
| PubChem | 86302557 |
| LOTUS | LTS0008658 |
| wikiData | Q105226865 |