2-(Furan-3-yl)-5-[2-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)ethyl]-2,3-dihydropyran-6-one
| Internal ID | 87f605b5-38a6-4f5f-8174-b1515fa16433 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | 2-(furan-3-yl)-5-[2-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)ethyl]-2,3-dihydropyran-6-one |
| SMILES (Canonical) | CC1=CC(=O)CC(C1CCC2=CCC(OC2=O)C3=COC=C3)(C)C |
| SMILES (Isomeric) | CC1=CC(=O)CC(C1CCC2=CCC(OC2=O)C3=COC=C3)(C)C |
| InChI | InChI=1S/C20H24O4/c1-13-10-16(21)11-20(2,3)17(13)6-4-14-5-7-18(24-19(14)22)15-8-9-23-12-15/h5,8-10,12,17-18H,4,6-7,11H2,1-3H3 |
| InChI Key | JVCOVRPXVQTCSZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 56.50 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 2-(Furan-3-yl)-5-[2-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)ethyl]-2,3-dihydropyran-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-furan-3-yl-5-2-266-trimethyl-4-oxocyclohex-2-en-1-ylethyl-23-dihydropyran-6-one.jpg "2D Structure of 2-(Furan-3-yl)-5-[2-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)ethyl]-2,3-dihydropyran-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.68% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.50% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.96% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.05% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.88% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.85% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.82% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.53% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.31% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.99% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.57% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.41% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.01% | 94.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.73% | 96.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.30% | 100.00% |
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.
| Hebeclinium macrophyllum |
| Tamaulipa azurea |
| PubChem | 13858017 |
| LOTUS | LTS0072503 |
| wikiData | Q105135604 |