(1S,5S,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde
| Internal ID | e9fdc3da-b91c-4f4c-8c1f-9fdea8118046 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Angular triquinanes |
| IUPAC Name | (1S,5S,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde |
| SMILES (Canonical) | CC1CCC23C1(C(=O)CC2)C(=CC3(C)C)C=O |
| SMILES (Isomeric) | C[C@@H]1CC[C@]23[C@]1(C(=O)CC2)C(=CC3(C)C)C=O |
| InChI | InChI=1S/C15H20O2/c1-10-4-6-14-7-5-12(17)15(10,14)11(9-16)8-13(14,2)3/h8-10H,4-7H2,1-3H3/t10-,14+,15+/m1/s1 |
| InChI Key | OGWNXUYATNGHJL-ONERCXAPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1S,5S,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/1s5s8r-448-trimethyl-9-oxotricyclo333015undec-2-ene-2-carbaldehyde.jpg "2D Structure of (1S,5S,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde")
| 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 | 94.49% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.91% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.67% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.47% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.06% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.86% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.53% | 82.69% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.17% | 93.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.17% | 97.09% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.85% | 99.29% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.36% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.25% | 92.94% |
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.
| Pulicaria paludosa |
| PubChem | 163001926 |
| LOTUS | LTS0019958 |
| wikiData | Q105191907 |