4',7-Dimethylspiro[benzo[e][2]benzofuran-1,2'-oxolane]-3-one
| Internal ID | 8d923acf-6834-49f4-b5b9-cb44975387ba |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 4',7-dimethylspiro[benzo[e][2]benzofuran-1,2'-oxolane]-3-one |
| SMILES (Canonical) | CC1CC2(C3=C(C=CC4=C3C=CC(=C4)C)C(=O)O2)OC1 |
| SMILES (Isomeric) | CC1CC2(C3=C(C=CC4=C3C=CC(=C4)C)C(=O)O2)OC1 |
| InChI | InChI=1S/C17H16O3/c1-10-3-5-13-12(7-10)4-6-14-15(13)17(20-16(14)18)8-11(2)9-19-17/h3-7,11H,8-9H2,1-2H3 |
| InChI Key | IHMHYAIAUMBBDS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O3 |
| Molecular Weight | 268.31 g/mol |
| Exact Mass | 268.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 4',7-Dimethylspiro[benzo[e][2]benzofuran-1,2'-oxolane]-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/47-dimethylspirobenzoe2benzofuran-12-oxolane-3-one.jpg "2D Structure of 4',7-Dimethylspiro[benzo[e][2]benzofuran-1,2'-oxolane]-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.63% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.23% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.25% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.46% | 89.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 91.31% | 92.51% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.31% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.27% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.84% | 86.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.74% | 93.18% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.98% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.47% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.24% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.35% | 92.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.32% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.95% | 93.31% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.93% | 97.21% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.54% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.14% | 98.75% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.62% | 96.39% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.25% | 91.19% |
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.
| Salvia przewalskii |
| PubChem | 163023711 |
| LOTUS | LTS0063815 |
| wikiData | Q105113130 |