14-[2-(3,3-Dimethyloxiran-2-yl)ethylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-11-one
| Internal ID | ca8d688e-900c-4fd9-9f4f-d3bb78060eaa |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | 14-[2-(3,3-dimethyloxiran-2-yl)ethylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-11-one |
| SMILES (Canonical) | CC1(C(O1)CC=C2COC(=O)C3C2CCC4(C(O4)CCC3=C)C)C |
| SMILES (Isomeric) | CC1(C(O1)CC=C2COC(=O)C3C2CCC4(C(O4)CCC3=C)C)C |
| InChI | InChI=1S/C20H28O4/c1-12-5-7-16-20(4,24-16)10-9-14-13(11-22-18(21)17(12)14)6-8-15-19(2,3)23-15/h6,14-17H,1,5,7-11H2,2-4H3 |
| InChI Key | HBFMHROJNZWLBE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 51.40 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 14-[2-(3,3-Dimethyloxiran-2-yl)ethylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/e0550b10-842a-11ee-920e-552cd20ab792.jpg "2D Structure of 14-[2-(3,3-Dimethyloxiran-2-yl)ethylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-11-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.14% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.69% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.39% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.83% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.60% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.92% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.92% | 96.61% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.49% | 97.28% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.54% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.37% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.79% | 94.45% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.05% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.48% | 95.89% |
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 | 73075311 |
| LOTUS | LTS0211760 |
| wikiData | Q105025261 |