7-[2-(3-Furyl)ethyl]-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydro-1h-naphtho[1,8a-c]furan-3-one
| Internal ID | ea71674e-4f75-4640-8dc8-e9751b4f98cc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 7-[2-(furan-3-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one |
| SMILES (Canonical) | CC1CCC23COC(=O)C2=CCCC3C1(C)CCC4=COC=C4 |
| SMILES (Isomeric) | CC1CCC23COC(=O)C2=CCCC3C1(C)CCC4=COC=C4 |
| InChI | InChI=1S/C20H26O3/c1-14-6-10-20-13-23-18(21)16(20)4-3-5-17(20)19(14,2)9-7-15-8-11-22-12-15/h4,8,11-12,14,17H,3,5-7,9-10,13H2,1-2H3 |
| InChI Key | GYQICJPGOHABHH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H26O3 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 7-[2-(3-Furyl)ethyl]-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydro-1h-naphtho[1,8a-c]furan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-2-3-furylethyl-78-dimethyl-3566a78910-octahydro-1h-naphtho18a-cfuran-3-one.jpg "2D Structure of 7-[2-(3-Furyl)ethyl]-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydro-1h-naphtho[1,8a-c]furan-3-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.92% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.22% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.73% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.84% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.43% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.43% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.61% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.01% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.82% | 94.80% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.83% | 97.79% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.82% | 93.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.12% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.75% | 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.
| Baccharis dracunculifolia |
| Chromolaena pulchella |
| Dodonaea viscosa subsp. angustissima |
| Laennecia sophiifolia |
| Nidorella ivifolia |
| PubChem | 53396109 |
| LOTUS | LTS0080076 |
| wikiData | Q105024045 |