(1,9-Dimethyl-4-methylidene-5-oxo-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-14-yl) 2-methylbutanoate
| Internal ID | 5e8a8d59-d69e-46e6-827e-7d2a16604eda |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | (1,9-dimethyl-4-methylidene-5-oxo-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-14-yl) 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C2(CC3C(CC(C2CCO1)C)OC(=O)C3=C)C |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C2(CC3C(CC(C2CCO1)C)OC(=O)C3=C)C |
| InChI | InChI=1S/C20H30O5/c1-6-11(2)17(21)25-19-20(5)10-14-13(4)18(22)24-16(14)9-12(3)15(20)7-8-23-19/h11-12,14-16,19H,4,6-10H2,1-3,5H3 |
| InChI Key | RJBCKROILUQLAJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (1,9-Dimethyl-4-methylidene-5-oxo-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-14-yl) 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/19-dimethyl-4-methylidene-5-oxo-613-dioxatricyclo840037tetradecan-14-yl-2-methylbutanoate.jpg "2D Structure of (1,9-Dimethyl-4-methylidene-5-oxo-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-14-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.53% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.06% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.32% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.91% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.77% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.52% | 96.47% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.47% | 95.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.95% | 92.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.25% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.24% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.66% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.15% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.72% | 96.77% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.35% | 98.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.74% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.63% | 97.79% |
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.
| Hymenoxys integrifolia |
| PubChem | 162935630 |
| LOTUS | LTS0268595 |
| wikiData | Q105237343 |