2-[4-Ethenyl-4-methyl-2-(2-methylbut-2-enoyloxy)-5-prop-1-en-2-ylcyclohexyl]prop-2-enoic acid
| Internal ID | f90197b7-7459-431b-a72f-8a6f18ccb5d1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Elemane sesquiterpenoids |
| IUPAC Name | 2-[4-ethenyl-4-methyl-2-(2-methylbut-2-enoyloxy)-5-prop-1-en-2-ylcyclohexyl]prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O4/c1-8-13(5)19(23)24-17-11-20(7,9-2)16(12(3)4)10-15(17)14(6)18(21)22/h8-9,15-17H,2-3,6,10-11H2,1,4-5,7H3,(H,21,22) |
| InChI Key | ZYYGYFSSHRZSCL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 2-[4-Ethenyl-4-methyl-2-(2-methylbut-2-enoyloxy)-5-prop-1-en-2-ylcyclohexyl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-ethenyl-4-methyl-2-2-methylbut-2-enoyloxy-5-prop-1-en-2-ylcyclohexylprop-2-enoic-acid.jpg "2D Structure of 2-[4-Ethenyl-4-methyl-2-(2-methylbut-2-enoyloxy)-5-prop-1-en-2-ylcyclohexyl]prop-2-enoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.06% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.66% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.42% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.85% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.73% | 91.11% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 89.23% | 95.69% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 88.58% | 97.53% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 86.73% | 97.53% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.52% | 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.
| Ageratina tomentella |
| PubChem | 162892062 |
| LOTUS | LTS0078349 |
| wikiData | Q105386546 |