(6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylbutanoate
| Internal ID | 34dd978b-3809-43e9-97b0-b26226575950 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | (6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1CC(CCC(C(=CC2C1C(=C)C(=O)O2)C)O)(C)O |
| SMILES (Isomeric) | CCC(C)C(=O)OC1CC(CCC(C(=CC2C1C(=C)C(=O)O2)C)O)(C)O |
| InChI | InChI=1S/C20H30O6/c1-6-11(2)18(22)26-16-10-20(5,24)8-7-14(21)12(3)9-15-17(16)13(4)19(23)25-15/h9,11,14-17,21,24H,4,6-8,10H2,1-3,5H3 |
| InChI Key | ZOEAECGCSDCUAW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/111bee80-8673-11ee-9150-832c6d25203f.jpg "2D Structure of (6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.76% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.49% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.95% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.34% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.24% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.55% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.38% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.31% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.22% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.73% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.08% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.46% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.35% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.22% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.05% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.78% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.59% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.56% | 97.14% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.59% | 93.67% |
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.
| Viguiera gilliesii |
| PubChem | 163077190 |
| LOTUS | LTS0101458 |
| wikiData | Q105380386 |