(1,6,13-Trimethyl-9,12-dioxo-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadec-10(17)-en-6-yl) acetate
| Internal ID | 4b471adc-4040-4f7d-8328-5e6c86c6b239 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (1,6,13-trimethyl-9,12-dioxo-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadec-10(17)-en-6-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28O5/c1-12(23)27-21(4)11-22-10-13(21)6-7-14(22)19(2)8-5-9-20(3)16(19)15(17(22)24)26-18(20)25/h13-14H,5-11H2,1-4H3 |
| InChI Key | WCEZVSDJKHTTES-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O5 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (1,6,13-Trimethyl-9,12-dioxo-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadec-10(17)-en-6-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1613-trimethyl-912-dioxo-11-oxapentacyclo86115802801317octadec-1017-en-6-yl-acetate.jpg "2D Structure of (1,6,13-Trimethyl-9,12-dioxo-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadec-10(17)-en-6-yl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.93% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.31% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.68% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.38% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.28% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.71% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.64% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.52% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.39% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.64% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.54% | 82.69% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.85% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.45% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.40% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.19% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.99% | 95.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.75% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.11% | 94.75% |
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 lucida |
| PubChem | 162920129 |
| LOTUS | LTS0102457 |
| wikiData | Q105301398 |