Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)-
| Internal ID | e8ef9c9b-9a3e-461e-8f7c-d07764495ed0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H24O4/c1-10-6-5-7-13-14(21-12(3)18)17(9-16(10,13)4)11(2)8-20-15(17)19/h10,13-14H,2,5-9H2,1,3-4H3 |
| InChI Key | ZZZDGYZKGIPSPD-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C17H24O4 |
| Molecular Weight | 292.40 g/mol |
| Exact Mass | 292.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 2.90 |
| DTXSID601105992 |
| 35945-70-1 |
| Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)- |
![2D Structure of Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)-](https://plantaedb.com/storage/docs/compounds/2023/11/9-acetoxyfukinanolide-47085f6a4d399aa604d061f3d1c21803.jpg "2D Structure of Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)-")
| 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 | 92.24% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.85% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.32% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.30% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.24% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.31% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.30% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.91% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.70% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.10% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.65% | 92.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.79% | 92.50% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.70% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.93% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.88% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.72% | 97.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.00% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.96% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.94% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.88% | 95.89% |
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.
| Petasites japonicus |
| PubChem | 78385431 |
| LOTUS | LTS0080779 |
| wikiData | Q105387211 |