3-(4,4-dimethyl-7-oxo-2,3,5,6-tetrahydro-1H-inden-2-yl)but-2-enoic acid
| Internal ID | 806a2756-ed4d-4e65-81b8-2caab24cb7d2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 3-(4,4-dimethyl-7-oxo-2,3,5,6-tetrahydro-1H-inden-2-yl)but-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O3/c1-9(6-14(17)18)10-7-11-12(8-10)15(2,3)5-4-13(11)16/h6,10H,4-5,7-8H2,1-3H3,(H,17,18) |
| InChI Key | KWLZQMPOIJYXDR-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 | 2.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.56% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.95% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.97% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.83% | 96.09% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 88.92% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 88.03% | 91.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.64% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.59% | 98.95% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 85.65% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.08% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.08% | 91.19% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.63% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.32% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.38% | 93.00% |
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.
| There are no matching plants. |
| PubChem | 78165557 |
| LOTUS | LTS0086126 |
| wikiData | Q104170659 |