[2-(5-Methoxy-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6-methylhepta-1,5-dien-3-yl] 2-methylbut-2-enoate
| Internal ID | 5a3bf956-41c1-4d49-a2e2-61139e2f8819 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [2-(5-methoxy-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6-methylhepta-1,5-dien-3-yl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC(CC=C(C)C)C(=C)C1=CC(=O)C(=C(C1=O)OC)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC(CC=C(C)C)C(=C)C1=CC(=O)C(=C(C1=O)OC)C |
| InChI | InChI=1S/C21H26O5/c1-8-13(4)21(24)26-18(10-9-12(2)3)14(5)16-11-17(22)15(6)20(25-7)19(16)23/h8-9,11,18H,5,10H2,1-4,6-7H3 |
| InChI Key | YFAZZIGYKCIRKY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [2-(5-Methoxy-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6-methylhepta-1,5-dien-3-yl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/472d03a0-8690-11ee-a740-997875712170.jpg "2D Structure of [2-(5-Methoxy-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-6-methylhepta-1,5-dien-3-yl] 2-methylbut-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.34% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.10% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.89% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.62% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.22% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.29% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.83% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.13% | 85.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.35% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.73% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.26% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.83% | 93.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.43% | 91.07% |
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.
| Senecio oxyodontus |
| PubChem | 333629 |
| LOTUS | LTS0084135 |
| wikiData | Q105347484 |