[(2-acetyloxy-4-methyl-5-oxo-2H-furan-3-yl)-(2-formyl-1,6-dimethylcyclohex-2-en-1-yl)methyl] 2-methylbut-2-enoate
| Internal ID | b962ab5b-39e5-4319-89bc-9d7d505bc240 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(2-acetyloxy-4-methyl-5-oxo-2H-furan-3-yl)-(2-formyl-1,6-dimethylcyclohex-2-en-1-yl)methyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC(C1=C(C(=O)OC1OC(=O)C)C)C2(C(CCC=C2C=O)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC(C1=C(C(=O)OC1OC(=O)C)C)C2(C(CCC=C2C=O)C)C |
| InChI | InChI=1S/C22H28O7/c1-7-12(2)19(25)28-18(22(6)13(3)9-8-10-16(22)11-23)17-14(4)20(26)29-21(17)27-15(5)24/h7,10-11,13,18,21H,8-9H2,1-6H3 |
| InChI Key | NSALWXIRBGWDKK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O7 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 96.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of [(2-acetyloxy-4-methyl-5-oxo-2H-furan-3-yl)-(2-formyl-1,6-dimethylcyclohex-2-en-1-yl)methyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/e129bfc0-868e-11ee-be9c-c1a8648e40fd.jpg "2D Structure of [(2-acetyloxy-4-methyl-5-oxo-2H-furan-3-yl)-(2-formyl-1,6-dimethylcyclohex-2-en-1-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 | 96.74% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.59% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.13% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.45% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.73% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.61% | 93.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.16% | 96.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.15% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.07% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.76% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.47% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.67% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.27% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.33% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.90% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.19% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.98% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.58% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.47% | 94.80% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.20% | 83.00% |
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 macedonicus |
| PubChem | 162907505 |
| LOTUS | LTS0092208 |
| wikiData | Q105184933 |