13-Methyl-4,9-dimethylidene-2-oxatricyclo[8.3.0.01,5]tridecan-3-one
| Internal ID | 33b5b6c7-c4a6-4554-82f0-db4c97f1aecb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 13-methyl-4,9-dimethylidene-2-oxatricyclo[8.3.0.01,5]tridecan-3-one |
| SMILES (Canonical) | CC1CCC2C13C(CCCC2=C)C(=C)C(=O)O3 |
| SMILES (Isomeric) | CC1CCC2C13C(CCCC2=C)C(=C)C(=O)O3 |
| InChI | InChI=1S/C15H20O2/c1-9-5-4-6-13-11(3)14(16)17-15(13)10(2)7-8-12(9)15/h10,12-13H,1,3-8H2,2H3 |
| InChI Key | KQRRKYOJZSNEMG-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 13-Methyl-4,9-dimethylidene-2-oxatricyclo[8.3.0.01,5]tridecan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/13-methyl-49-dimethylidene-2-oxatricyclo830015tridecan-3-one.jpg "2D Structure of 13-Methyl-4,9-dimethylidene-2-oxatricyclo[8.3.0.01,5]tridecan-3-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 | 94.54% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.52% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.48% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.68% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.74% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.60% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.89% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.03% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.92% | 97.14% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.16% | 92.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.29% | 97.05% |
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.
| Plicanthus hirtellus |
| PubChem | 75239046 |
| LOTUS | LTS0092750 |
| wikiData | Q105144744 |