(1,10-Dimethyl-6-methylidene-5-oxo-4,14-dioxatricyclo[7.4.1.03,7]tetradecan-2-yl) 2-methylpropanoate
| Internal ID | 242f3719-f88c-4d47-ad90-174290059eb9 |
| 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) 2-methylpropanoate |
| SMILES (Canonical) | CC1CCCC2(C(C3C(CC1O2)C(=C)C(=O)O3)OC(=O)C(C)C)C |
| SMILES (Isomeric) | CC1CCCC2(C(C3C(CC1O2)C(=C)C(=O)O3)OC(=O)C(C)C)C |
| InChI | InChI=1S/C19H28O5/c1-10(2)17(20)23-16-15-13(12(4)18(21)22-15)9-14-11(3)7-6-8-19(16,5)24-14/h10-11,13-16H,4,6-9H2,1-3,5H3 |
| InChI Key | KHDXGUSMYNJVGD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O5 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.50 |
| 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) 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/110-dimethyl-6-methylidene-5-oxo-414-dioxatricyclo741037tetradecan-2-yl-2-methylpropanoate.jpg "2D Structure of (1,10-Dimethyl-6-methylidene-5-oxo-4,14-dioxatricyclo[7.4.1.03,7]tetradecan-2-yl) 2-methylpropanoate")
| 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 | 98.03% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.72% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.26% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.19% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.90% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.71% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.57% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.25% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.41% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.50% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.93% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.90% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.83% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.00% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.59% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.01% | 97.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.79% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.70% | 91.19% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.82% | 92.88% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.25% | 83.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.91% | 91.07% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.52% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.38% | 95.50% |
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 | 162966640 |
| LOTUS | LTS0115981 |
| wikiData | Q105141103 |