5-Methyl-8-propan-2-yl-9-oxatetracyclo[6.2.2.01,6.03,5]dodecan-10-one
| Internal ID | 0d939704-6020-47b5-bb03-adbc467a9b47 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 5-methyl-8-propan-2-yl-9-oxatetracyclo[6.2.2.01,6.03,5]dodecan-10-one |
| SMILES (Canonical) | CC(C)C12CCC3(CC4CC4(C3C1)C)C(=O)O2 |
| SMILES (Isomeric) | CC(C)C12CCC3(CC4CC4(C3C1)C)C(=O)O2 |
| InChI | InChI=1S/C15H22O2/c1-9(2)15-5-4-14(12(16)17-15)7-10-6-13(10,3)11(14)8-15/h9-11H,4-8H2,1-3H3 |
| InChI Key | FSOSABOSZNLZON-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 5-Methyl-8-propan-2-yl-9-oxatetracyclo[6.2.2.01,6.03,5]dodecan-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-methyl-8-propan-2-yl-9-oxatetracyclo622016035dodecan-10-one.jpg "2D Structure of 5-Methyl-8-propan-2-yl-9-oxatetracyclo[6.2.2.01,6.03,5]dodecan-10-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 | 95.52% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.63% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.87% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.45% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.09% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.06% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.25% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.51% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.42% | 94.75% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.10% | 98.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.04% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.85% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.84% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.63% | 98.95% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.23% | 95.71% |
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.
| Makinoa crispata |
| PubChem | 14563804 |
| LOTUS | LTS0163878 |
| wikiData | Q105000809 |