[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl (E)-3-phenylprop-2-enoate
| Internal ID | a70dd90e-a7fc-4483-abb6-d07eaf56895b |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
| IUPAC Name | [(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | CC1(C2CC=C(C1C2)COC(=O)C=CC3=CC=CC=C3)C |
| SMILES (Isomeric) | CC1([C@@H]2CC=C([C@H]1C2)COC(=O)/C=C/C3=CC=CC=C3)C |
| InChI | InChI=1S/C19H22O2/c1-19(2)16-10-9-15(17(19)12-16)13-21-18(20)11-8-14-6-4-3-5-7-14/h3-9,11,16-17H,10,12-13H2,1-2H3/b11-8+/t16-,17-/m1/s1 |
| InChI Key | JQKXXCDIJZYTEZ-ZJJGVRJWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O2 |
| Molecular Weight | 282.40 g/mol |
| Exact Mass | 282.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl (E)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1s5r-66-dimethyl-2-bicyclo311hept-2-enylmethyl-e-3-phenylprop-2-enoate.jpg "2D Structure of [(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl (E)-3-phenylprop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.23% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.25% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.96% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.21% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.52% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.80% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.45% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.58% | 96.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.53% | 94.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.17% | 99.17% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 84.09% | 92.51% |
| CHEMBL5028 | O14672 | ADAM10 | 83.59% | 97.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.45% | 94.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.07% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.49% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.41% | 95.50% |
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.
| Stevia salicifolia |
| PubChem | 93519993 |
| LOTUS | LTS0047477 |
| wikiData | Q105133523 |