8a-Methyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2,5-dione
| Internal ID | f6ef1dc6-dd53-41c3-86a8-90fdf9da5139 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 8a-methyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2,5-dione |
| SMILES (Canonical) | CC12CCCC(=O)C1CC3C(C2)OC(=O)C3=C |
| SMILES (Isomeric) | CC12CCCC(=O)C1CC3C(C2)OC(=O)C3=C |
| InChI | InChI=1S/C14H18O3/c1-8-9-6-10-11(15)4-3-5-14(10,2)7-12(9)17-13(8)16/h9-10,12H,1,3-7H2,2H3 |
| InChI Key | FUJHTQQGDLWDFW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.29 g/mol |
| Exact Mass | 234.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 8a-Methyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8a-methyl-3-methylidene-3a44a67899a-octahydrobenzof1benzofuran-25-dione.jpg "2D Structure of 8a-Methyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2,5-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.34% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.03% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.62% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.53% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.40% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.40% | 99.23% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.19% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.97% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.84% | 95.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.74% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.23% | 93.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.94% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.44% | 97.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.37% | 98.03% |
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.
| Inula helenium |
| PubChem | 14565095 |
| LOTUS | LTS0201523 |
| wikiData | Q105001777 |