[10-Hydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
| Internal ID | e293ac43-5af9-48dd-8928-cabad387bcf1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | [10-hydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate |
| SMILES (Canonical) | CC1CCCC(C(C2C(C(C1=O)OC(=O)C(C)C)C(=C)C(=O)O2)OC(=O)C(C)C)(C)O |
| SMILES (Isomeric) | CC1CCCC(C(C2C(C(C1=O)OC(=O)C(C)C)C(=C)C(=O)O2)OC(=O)C(C)C)(C)O |
| InChI | InChI=1S/C23H34O8/c1-11(2)20(25)29-17-15-14(6)22(27)30-18(15)19(31-21(26)12(3)4)23(7,28)10-8-9-13(5)16(17)24/h11-13,15,17-19,28H,6,8-10H2,1-5,7H3 |
| InChI Key | IDYIWKGLGJZZOR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O8 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [10-Hydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/475d2320-8724-11ee-9d97-abd8b2798244.jpg "2D Structure of [10-Hydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-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 | 98.10% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.57% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.40% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.18% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.88% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.80% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.06% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.95% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.84% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.49% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.91% | 92.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.78% | 93.03% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.62% | 95.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.14% | 89.63% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.82% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.52% | 91.07% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.52% | 83.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.32% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.96% | 95.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.77% | 98.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.58% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.32% | 89.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.16% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.04% | 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.
| Carpesium triste |
| PubChem | 162964996 |
| LOTUS | LTS0125750 |
| wikiData | Q105111605 |