[(5-acetyloxy-2-formyl-1,6-dimethylcyclohex-2-en-1-yl)-(2-hydroxy-4-methyl-5-oxo-2H-furan-3-yl)methyl] 2-methylpropanoate
| Internal ID | 9925e6bc-cb52-467d-a3c7-297f20426d6b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(5-acetyloxy-2-formyl-1,6-dimethylcyclohex-2-en-1-yl)-(2-hydroxy-4-methyl-5-oxo-2H-furan-3-yl)methyl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H28O8/c1-10(2)18(24)28-17(16-11(3)19(25)29-20(16)26)21(6)12(4)15(27-13(5)23)8-7-14(21)9-22/h7,9-10,12,15,17,20,26H,8H2,1-6H3 |
| InChI Key | GBLJRCNXXBNAET-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O8 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [(5-acetyloxy-2-formyl-1,6-dimethylcyclohex-2-en-1-yl)-(2-hydroxy-4-methyl-5-oxo-2H-furan-3-yl)methyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8b279c30-86b4-11ee-b583-13acefb57c8c.jpg "2D Structure of [(5-acetyloxy-2-formyl-1,6-dimethylcyclohex-2-en-1-yl)-(2-hydroxy-4-methyl-5-oxo-2H-furan-3-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 | 95.98% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.61% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.80% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.38% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.30% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.44% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.34% | 96.47% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.95% | 91.07% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.84% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.05% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.93% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.82% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.79% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.46% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.23% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.11% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 83.22% | 97.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.56% | 97.79% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.89% | 96.77% |
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.
| Culcitium albifolium |
| PubChem | 14864241 |
| LOTUS | LTS0157561 |
| wikiData | Q105005936 |