[(1S,2S,6R,9S,10R,11R,13R)-9-methyl-5,14-dimethylidene-4-oxo-3,12-dioxatetracyclo[7.5.0.02,6.011,13]tetradecan-10-yl] (E)-2-methylbut-2-enoate
| Internal ID | 50e5f720-5097-4533-be29-316c847553ec |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | [(1S,2S,6R,9S,10R,11R,13R)-9-methyl-5,14-dimethylidene-4-oxo-3,12-dioxatetracyclo[7.5.0.02,6.011,13]tetradecan-10-yl] (E)-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O5/c1-6-9(2)18(21)25-17-16-14(23-16)11(4)13-15-12(7-8-20(13,17)5)10(3)19(22)24-15/h6,12-17H,3-4,7-8H2,1-2,5H3/b9-6+/t12-,13-,14-,15+,16-,17+,20+/m1/s1 |
| InChI Key | QOZLCBIJBFQPAB-ZDPMPZTLSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,6R,9S,10R,11R,13R)-9-methyl-5,14-dimethylidene-4-oxo-3,12-dioxatetracyclo[7.5.0.02,6.011,13]tetradecan-10-yl] (E)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/d2d21b30-8411-11ee-9a7d-49e8efb69526.jpg "2D Structure of [(1S,2S,6R,9S,10R,11R,13R)-9-methyl-5,14-dimethylidene-4-oxo-3,12-dioxatetracyclo[7.5.0.02,6.011,13]tetradecan-10-yl] (E)-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.26% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.30% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.60% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.06% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.76% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.35% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.34% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.14% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.03% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.84% | 91.24% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.64% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.58% | 94.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.58% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.51% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.44% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.42% | 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.
| Ferula oopoda |
| PubChem | 162935601 |
| LOTUS | LTS0074305 |
| wikiData | Q105225237 |