(5,9,14-Trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl) 2-methylbutanoate
| Internal ID | 6048c6ce-54dd-45f2-84d1-5213be671bb6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | (5,9,14-trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl) 2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O5/c1-6-9(2)18(21)23-13-7-10(3)12-8-14-20(5,25-14)16(12)17-15(13)11(4)19(22)24-17/h9,11,13-17H,6-8H2,1-5H3 |
| InChI Key | LQUIPYXNZMFMLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (5,9,14-Trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl) 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/5914-trimethyl-4-oxo-313-dioxatetracyclo84002601214tetradec-9-en-7-yl-2-methylbutanoate.jpg "2D Structure of (5,9,14-Trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl) 2-methylbutanoate")
| 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 | 97.13% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.28% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.78% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.56% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.66% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.59% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.39% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.66% | 85.14% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 86.81% | 92.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.24% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.44% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.56% | 94.80% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.45% | 96.38% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 83.11% | 92.26% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.79% | 86.33% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.55% | 93.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.42% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.18% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.18% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.11% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.05% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.03% | 91.19% |
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.
| Artemisia douglasiana |
| PubChem | 162926110 |
| LOTUS | LTS0221343 |
| wikiData | Q105155831 |