7,9-dihydroxy-10-methyl-3,6-dimethylidene-4-(2-methylpropoxy)-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
| Internal ID | 90dfc7e2-5afe-4e28-97aa-3df68bd11118 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 7,9-dihydroxy-10-methyl-3,6-dimethylidene-4-(2-methylpropoxy)-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H28O5/c1-10(2)9-23-16-6-11(3)14(20)8-15(21)12(4)7-17-18(16)13(5)19(22)24-17/h7,10,14-18,20-21H,3,5-6,8-9H2,1-2,4H3 |
| InChI Key | JDMDKFIKZIBCPI-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) | 76.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 7,9-dihydroxy-10-methyl-3,6-dimethylidene-4-(2-methylpropoxy)-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/e490bf50-86c3-11ee-87fe-25cc3e53cdb3.jpg "2D Structure of 7,9-dihydroxy-10-methyl-3,6-dimethylidene-4-(2-methylpropoxy)-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.44% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.77% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.54% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.53% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.34% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.81% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.74% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.46% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.48% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.42% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.19% | 89.63% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.74% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.38% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.32% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.57% | 97.33% |
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.
| Ursinia tenuifolia |
| PubChem | 162883602 |
| LOTUS | LTS0126792 |
| wikiData | Q105125592 |