4,4,8-Trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carboxylic acid
| Internal ID | fd483048-491f-4ac0-8014-6ef9d58f6953 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Angular triquinanes |
| IUPAC Name | 4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carboxylic acid |
| SMILES (Canonical) | CC1CCC23C1(C(=O)CC2)C(=CC3(C)C)C(=O)O |
| SMILES (Isomeric) | CC1CCC23C1(C(=O)CC2)C(=CC3(C)C)C(=O)O |
| InChI | InChI=1S/C15H20O3/c1-9-4-6-14-7-5-11(16)15(9,14)10(12(17)18)8-13(14,2)3/h8-9H,4-7H2,1-3H3,(H,17,18) |
| InChI Key | DZZUDKWCIAKSGQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 4,4,8-Trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/448-trimethyl-9-oxotricyclo333015undec-2-ene-2-carboxylic-acid.jpg "2D Structure of 4,4,8-Trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carboxylic acid")
| 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 | 92.81% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.98% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.47% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.03% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.18% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.55% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.00% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.17% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.12% | 100.00% |
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 | 14239549 |
| LOTUS | LTS0150137 |
| wikiData | Q104992131 |