[3-(1,3-benzodioxol-5-yloxy)-6-(6-methoxy-1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate
| Internal ID | d66309c7-004d-4f74-9074-fbedc01868bc |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [3-(1,3-benzodioxol-5-yloxy)-6-(6-methoxy-1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate |
| SMILES (Canonical) | CC(=O)OC12COC(C1COC2OC3=CC4=C(C=C3)OCO4)C5=CC6=C(C=C5OC)OCO6 |
| SMILES (Isomeric) | CC(=O)OC12COC(C1COC2OC3=CC4=C(C=C3)OCO4)C5=CC6=C(C=C5OC)OCO6 |
| InChI | InChI=1S/C23H22O10/c1-12(24)33-23-9-27-21(14-6-19-20(31-11-30-19)7-17(14)25-2)15(23)8-26-22(23)32-13-3-4-16-18(5-13)29-10-28-16/h3-7,15,21-22H,8-11H2,1-2H3 |
| InChI Key | CXBGSWYZVZJURE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O10 |
| Molecular Weight | 458.40 g/mol |
| Exact Mass | 458.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 100.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [3-(1,3-benzodioxol-5-yloxy)-6-(6-methoxy-1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/b56fe560-872f-11ee-9545-e74c814755c4.jpg "2D Structure of [3-(1,3-benzodioxol-5-yloxy)-6-(6-methoxy-1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate")
| 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 | 98.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.56% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.28% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.43% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.46% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.81% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.34% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.93% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.90% | 89.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.33% | 89.44% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.13% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.72% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.64% | 98.75% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.24% | 80.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.08% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.93% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.81% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.18% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.85% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.68% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 81.60% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.49% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.47% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.11% | 99.17% |
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.
| Phryma leptostachya |
| PubChem | 14333744 |
| LOTUS | LTS0210924 |
| wikiData | Q104971737 |