2,8-Dihydroxy-5-methyl-9,14-dimethylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-13-one
| Internal ID | abe65ab7-5d02-48fa-9d2e-d9312d5d5d55 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 2,8-dihydroxy-5-methyl-9,14-dimethylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O5/c1-7-6-10-11(8(2)14(18)19-10)12(17)13-15(3,20-13)5-4-9(7)16/h9-13,16-17H,1-2,4-6H2,3H3 |
| InChI Key | VKHQBVXIXNZPGS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.32 g/mol |
| Exact Mass | 280.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 2,8-Dihydroxy-5-methyl-9,14-dimethylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/28-dihydroxy-5-methyl-914-dimethylidene-412-dioxatricyclo930035tetradecan-13-one.jpg "2D Structure of 2,8-Dihydroxy-5-methyl-9,14-dimethylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-13-one")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.54% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.91% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.89% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.81% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.55% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.87% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.71% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.08% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.68% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.62% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.10% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.44% | 97.14% |
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.
| Cota palaestina |
| Tanacetum densum |
| PubChem | 14757918 |
| LOTUS | LTS0219399 |
| wikiData | Q105287754 |