8a-Methyl-3-methylidene-3a,6,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2,5-dione
| Internal ID | 88034790-aa94-4d34-a73f-8e3660ec590b |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 8a-methyl-3-methylidene-3a,6,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2,5-dione |
| SMILES (Canonical) | CC12CCCC(=O)C1=CC3C(C2)OC(=O)C3=C |
| SMILES (Isomeric) | CC12CCCC(=O)C1=CC3C(C2)OC(=O)C3=C |
| InChI | InChI=1S/C14H16O3/c1-8-9-6-10-11(15)4-3-5-14(10,2)7-12(9)17-13(8)16/h6,9,12H,1,3-5,7H2,2H3 |
| InChI Key | MVUOIVFSPUITKN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.27 g/mol |
| Exact Mass | 232.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 8a-Methyl-3-methylidene-3a,6,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8a-methyl-3-methylidene-3a67899a-hexahydrobenzof1benzofuran-25-dione.jpg "2D Structure of 8a-Methyl-3-methylidene-3a,6,7,8,9,9a-hexahydrobenzo[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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.69% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.09% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.87% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.24% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.69% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.40% | 86.33% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.10% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.83% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.80% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.70% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.25% | 97.79% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.41% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.39% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.00% | 93.40% |
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 | 162848925 |
| LOTUS | LTS0203428 |
| wikiData | Q105173330 |