[(2-formyl-1,6-dimethylcyclohex-2-en-1-yl)-(2-hydroxy-4-methyl-5-oxo-2H-furan-3-yl)methyl] 2-methylbut-2-enoate
| Internal ID | 3ca0d8b1-2f81-4e4c-b72c-03522c473b25 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(2-formyl-1,6-dimethylcyclohex-2-en-1-yl)-(2-hydroxy-4-methyl-5-oxo-2H-furan-3-yl)methyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC(C1=C(C(=O)OC1O)C)C2(C(CCC=C2C=O)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC(C1=C(C(=O)OC1O)C)C2(C(CCC=C2C=O)C)C |
| InChI | InChI=1S/C20H26O6/c1-6-11(2)17(22)25-16(15-13(4)18(23)26-19(15)24)20(5)12(3)8-7-9-14(20)10-21/h6,9-10,12,16,19,24H,7-8H2,1-5H3 |
| InChI Key | JUWNQGFIHXLZHN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [(2-formyl-1,6-dimethylcyclohex-2-en-1-yl)-(2-hydroxy-4-methyl-5-oxo-2H-furan-3-yl)methyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3d10a5e0-8689-11ee-b609-a5ab1540fcb7.jpg "2D Structure of [(2-formyl-1,6-dimethylcyclohex-2-en-1-yl)-(2-hydroxy-4-methyl-5-oxo-2H-furan-3-yl)methyl] 2-methylbut-2-enoate")
| 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 | 96.19% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.71% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.66% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.42% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.26% | 91.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.35% | 98.75% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.34% | 93.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.32% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.14% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.74% | 91.07% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.57% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.24% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.36% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.19% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.45% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.48% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.43% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.33% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.96% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.84% | 86.33% |
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.
| Senecio macrotis |
| PubChem | 162955556 |
| LOTUS | LTS0121726 |
| wikiData | Q105135475 |