1-(6-Methoxy-3-methylidene-3a,8b-dihydrofuro[3,2-b][1]benzofuran-7-yl)ethanone
| Internal ID | 8a766a37-0eca-41af-b3b8-807ba696615d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Acetophenones |
| IUPAC Name | 1-(6-methoxy-3-methylidene-3a,8b-dihydrofuro[3,2-b][1]benzofuran-7-yl)ethanone |
| SMILES (Canonical) | CC(=O)C1=C(C=C2C(=C1)C3C(O2)C(=C)CO3)OC |
| SMILES (Isomeric) | CC(=O)C1=C(C=C2C(=C1)C3C(O2)C(=C)CO3)OC |
| InChI | InChI=1S/C14H14O4/c1-7-6-17-14-10-4-9(8(2)15)11(16-3)5-12(10)18-13(7)14/h4-5,13-14H,1,6H2,2-3H3 |
| InChI Key | JDRMNXSWKDYTKA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H14O4 |
| Molecular Weight | 246.26 g/mol |
| Exact Mass | 246.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 1-(6-Methoxy-3-methylidene-3a,8b-dihydrofuro[3,2-b][1]benzofuran-7-yl)ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-6-methoxy-3-methylidene-3a8b-dihydrofuro32-b1benzofuran-7-ylethanone.jpg "2D Structure of 1-(6-Methoxy-3-methylidene-3a,8b-dihydrofuro[3,2-b][1]benzofuran-7-yl)ethanone")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.78% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.46% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.89% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.88% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.88% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.82% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.25% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.07% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.30% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.18% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.65% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.69% | 91.07% |
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.
| Platypodanthera melissifolia |
| PubChem | 14104349 |
| LOTUS | LTS0222219 |
| wikiData | Q105125696 |