[(1S,2R,6R,8R,9Z)-1,10-dimethyl-5-methylidene-4,13-dioxo-3,14-dioxatricyclo[9.2.1.02,6]tetradeca-9,11-dien-8-yl] (Z)-2-methylbut-2-enoate
| Internal ID | 3c051855-ee19-48e3-8de0-194c16075e41 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | [(1S,2R,6R,8R,9Z)-1,10-dimethyl-5-methylidene-4,13-dioxo-3,14-dioxatricyclo[9.2.1.02,6]tetradeca-9,11-dien-8-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22O6/c1-6-10(2)18(22)24-13-7-11(3)15-9-16(21)20(5,26-15)17-14(8-13)12(4)19(23)25-17/h6-7,9,13-14,17H,4,8H2,1-3,5H3/b10-6-,11-7-/t13-,14+,17+,20+/m0/s1 |
| InChI Key | QGBJCHWPEVUYDN-GJVJVEMUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,6R,8R,9Z)-1,10-dimethyl-5-methylidene-4,13-dioxo-3,14-dioxatricyclo[9.2.1.02,6]tetradeca-9,11-dien-8-yl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/eb5c0590-85cf-11ee-988c-69891c962bbe.jpg "2D Structure of [(1S,2R,6R,8R,9Z)-1,10-dimethyl-5-methylidene-4,13-dioxo-3,14-dioxatricyclo[9.2.1.02,6]tetradeca-9,11-dien-8-yl] (Z)-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.53% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.32% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.35% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.46% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.28% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.58% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.34% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.55% | 94.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.05% | 91.07% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.45% | 97.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.04% | 93.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.04% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.66% | 91.19% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.27% | 85.30% |
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.
| Lychnophora salicifolia |
| PubChem | 163059185 |
| LOTUS | LTS0072525 |
| wikiData | Q105219900 |