Methyl 4a,7-dimethyl-4-oxo-5,6,7,8-tetrahydrocyclopenta[f][1]benzofuran-7a-carboxylate
| Internal ID | fd4aac61-fbad-40eb-8ac4-2a833d2996d9 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | methyl 4a,7-dimethyl-4-oxo-5,6,7,8-tetrahydrocyclopenta[f][1]benzofuran-7a-carboxylate |
| SMILES (Canonical) | CC1CCC2(C1(CC3=C(C2=O)C=CO3)C(=O)OC)C |
| SMILES (Isomeric) | CC1CCC2(C1(CC3=C(C2=O)C=CO3)C(=O)OC)C |
| InChI | InChI=1S/C15H18O4/c1-9-4-6-14(2)12(16)10-5-7-19-11(10)8-15(9,14)13(17)18-3/h5,7,9H,4,6,8H2,1-3H3 |
| InChI Key | HKOZPZRWAYCCLH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.30 g/mol |
| Exact Mass | 262.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 56.50 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of Methyl 4a,7-dimethyl-4-oxo-5,6,7,8-tetrahydrocyclopenta[f][1]benzofuran-7a-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-4a7-dimethyl-4-oxo-5678-tetrahydrocyclopentaf1benzofuran-7a-carboxylate.jpg "2D Structure of Methyl 4a,7-dimethyl-4-oxo-5,6,7,8-tetrahydrocyclopenta[f][1]benzofuran-7a-carboxylate")
| 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 | 98.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.73% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.39% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.78% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.37% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.66% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.38% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.16% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.03% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.71% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.97% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.20% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.14% | 97.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.38% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.30% | 94.00% |
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.
| Bryopteris filicina |
| Porella cordaeana |
| Porella navicularis |
| PubChem | 14164936 |
| LOTUS | LTS0062965 |
| wikiData | Q105029840 |