[(3aS,4R,5E,9E,11aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-yl]methyl 2-methylpropanoate
| Internal ID | db5bc1a9-0639-41ce-b2b1-152583ed42f8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | [(3aS,4R,5E,9E,11aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-yl]methyl 2-methylpropanoate |
| SMILES (Canonical) | CC1=CC(C2C(CC(=CCC1)COC(=O)C(C)C)OC(=O)C2=C)O |
| SMILES (Isomeric) | C/C/1=C\[C@H]([C@H]2[C@@H](C/C(=C\CC1)/COC(=O)C(C)C)OC(=O)C2=C)O |
| InChI | InChI=1S/C19H26O5/c1-11(2)18(21)23-10-14-7-5-6-12(3)8-15(20)17-13(4)19(22)24-16(17)9-14/h7-8,11,15-17,20H,4-6,9-10H2,1-3H3/b12-8+,14-7+/t15-,16-,17+/m1/s1 |
| InChI Key | JPJWUQFTHCHVRP-GLWAKWNESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O5 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of [(3aS,4R,5E,9E,11aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-yl]methyl 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/50fe9ca0-85c7-11ee-a758-49acae9686ae.jpg "2D Structure of [(3aS,4R,5E,9E,11aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.81% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.48% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.45% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.01% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.18% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.88% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.10% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.48% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.84% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.58% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.30% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.23% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.18% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.91% | 97.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.80% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.75% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.13% | 94.73% |
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.
| Schkuhria schkuhrioides |
| PubChem | 13858226 |
| LOTUS | LTS0265189 |
| wikiData | Q105132861 |