(1,10-Dimethyl-6-methylidene-5-oxo-4,14-dioxatricyclo[7.4.1.03,7]tetradecan-2-yl) 3-methylbutanoate
| Internal ID | b8cc11c5-5b3a-4e79-8bc9-890222f51430 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1,10-dimethyl-6-methylidene-5-oxo-4,14-dioxatricyclo[7.4.1.03,7]tetradecan-2-yl) 3-methylbutanoate |
| SMILES (Canonical) | CC1CCCC2(C(C3C(CC1O2)C(=C)C(=O)O3)OC(=O)CC(C)C)C |
| SMILES (Isomeric) | CC1CCCC2(C(C3C(CC1O2)C(=C)C(=O)O3)OC(=O)CC(C)C)C |
| InChI | InChI=1S/C20H30O5/c1-11(2)9-16(21)23-18-17-14(13(4)19(22)24-17)10-15-12(3)7-6-8-20(18,5)25-15/h11-12,14-15,17-18H,4,6-10H2,1-3,5H3 |
| InChI Key | NMFJAXNNHKLGQZ-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 | 3.80 |
| There are no found synonyms. |
![2D Structure of (1,10-Dimethyl-6-methylidene-5-oxo-4,14-dioxatricyclo[7.4.1.03,7]tetradecan-2-yl) 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/110-dimethyl-6-methylidene-5-oxo-414-dioxatricyclo741037tetradecan-2-yl-3-methylbutanoate.jpg "2D Structure of (1,10-Dimethyl-6-methylidene-5-oxo-4,14-dioxatricyclo[7.4.1.03,7]tetradecan-2-yl) 3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.32% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.18% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.75% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.16% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.14% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.15% | 97.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.06% | 85.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.51% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.02% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.95% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.91% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.32% | 95.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.40% | 98.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.08% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.71% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.59% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.12% | 95.89% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 82.07% | 95.36% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.98% | 91.07% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.62% | 92.88% |
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.
| Dittrichia viscosa |
| PubChem | 163000749 |
| LOTUS | LTS0147234 |
| wikiData | Q105181745 |