(1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl) 2-methylbutanoate
| Internal ID | 77a98b22-2f63-4db6-8a1d-bba267c2fd9b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | (1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl) 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1CC2(C=CC(O2)(C(=CC3C1C(=C)C(=O)O3)C)O)C |
| SMILES (Isomeric) | CCC(C)C(=O)OC1CC2(C=CC(O2)(C(=CC3C1C(=C)C(=O)O3)C)O)C |
| InChI | InChI=1S/C20H26O6/c1-6-11(2)17(21)25-15-10-19(5)7-8-20(23,26-19)12(3)9-14-16(15)13(4)18(22)24-14/h7-9,11,14-16,23H,4,6,10H2,1-3,5H3 |
| InChI Key | UWJROGRZEPMISK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl) 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/78f76810-8837-11ee-bf05-11636590e8be.jpg "2D Structure of (1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-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 | 95.50% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.23% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.21% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.12% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.67% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.69% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.88% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.88% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.96% | 85.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.16% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.42% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.60% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.10% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.82% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.38% | 99.23% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.80% | 95.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.78% | 93.56% |
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.
| Greenmaniella resinosa |
| PubChem | 162994852 |
| LOTUS | LTS0052034 |
| wikiData | Q105280406 |