1-(Furan-3-yl)-3,3,6-trimethylcyclopenta[c]pyran-7-one
| Internal ID | c0dcb795-6635-473f-ab99-af9fbd1ec5c1 |
| Taxonomy | Organoheterocyclic compounds > Pyrans |
| IUPAC Name | 1-(furan-3-yl)-3,3,6-trimethylcyclopenta[c]pyran-7-one |
| SMILES (Canonical) | CC1=CC2=CC(OC(=C2C1=O)C3=COC=C3)(C)C |
| SMILES (Isomeric) | CC1=CC2=CC(OC(=C2C1=O)C3=COC=C3)(C)C |
| InChI | InChI=1S/C15H14O3/c1-9-6-11-7-15(2,3)18-14(12(11)13(9)16)10-4-5-17-8-10/h4-8H,1-3H3 |
| InChI Key | ZBPDUCOIPHVDSN-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.27 g/mol |
| Exact Mass | 242.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 1-(Furan-3-yl)-3,3,6-trimethylcyclopenta[c]pyran-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-furan-3-yl-336-trimethylcyclopentacpyran-7-one.jpg "2D Structure of 1-(Furan-3-yl)-3,3,6-trimethylcyclopenta[c]pyran-7-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.09% | 85.14% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.38% | 89.63% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.34% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.56% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.27% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.45% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.11% | 94.73% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 88.01% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.94% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.57% | 99.23% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.51% | 96.67% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.44% | 81.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.42% | 94.80% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.66% | 80.96% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.50% | 85.30% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.54% | 94.45% |
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.
| Distimake kentrocaulos |
| PubChem | 11032062 |
| LOTUS | LTS0265932 |
| wikiData | Q104389817 |