Benzo[e]isobenzofuran-1,4-dione,1,3,4,5,5a,6,7,8,9,9a-decahydro-6,6,9a-trimethyl
| Internal ID | 5810a316-c4ed-4d6a-913a-1e393760bfc9 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydrobenzo[g][2]benzofuran-1,4-dione |
| SMILES (Canonical) | CC1(CCCC2(C1CC(=O)C3=C2C(=O)OC3)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CC(=O)C3=C2C(=O)OC3)C)C |
| InChI | InChI=1S/C15H20O3/c1-14(2)5-4-6-15(3)11(14)7-10(16)9-8-18-13(17)12(9)15/h11H,4-8H2,1-3H3 |
| InChI Key | DUXBZCLJTPCFOX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 2.90 |
| Benzo[e]isobenzofuran-1,4-dione,1,3,4,5,5a,6,7,8,9,9a-decahydro-6,6,9a-trimethyl |
| 6,6,9a-Trimethyl-3,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-1,4-dione # |
![2D Structure of Benzo[e]isobenzofuran-1,4-dione,1,3,4,5,5a,6,7,8,9,9a-decahydro-6,6,9a-trimethyl](https://plantaedb.com/storage/docs/compounds/2023/11/benzoeisobenzofuran-14-dione13455a67899a-decahydro-669a-trimethyl.jpg "2D Structure of Benzo[e]isobenzofuran-1,4-dione,1,3,4,5,5a,6,7,8,9,9a-decahydro-6,6,9a-trimethyl")
| 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 | 94.61% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.55% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.49% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.37% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.05% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.03% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.52% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.32% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.66% | 97.79% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.18% | 93.04% |
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.
| Zygogynum pancheri |
| PubChem | 563311 |
| LOTUS | LTS0124628 |
| wikiData | Q104989577 |