5-[3-(1,3-Benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-6-methoxy-1,3-benzodioxole
| Internal ID | 42727456-5bfd-4acf-9331-f3f476aef076 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans |
| IUPAC Name | 5-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-6-methoxy-1,3-benzodioxole |
| SMILES (Canonical) | COC1=CC2=C(C=C1C3C4COC(C4CO3)C5=CC6=C(C=C5)OCO6)OCO2 |
| SMILES (Isomeric) | COC1=CC2=C(C=C1C3C4COC(C4CO3)C5=CC6=C(C=C5)OCO6)OCO2 |
| InChI | InChI=1S/C21H20O7/c1-22-16-6-19-18(27-10-28-19)5-12(16)21-14-8-23-20(13(14)7-24-21)11-2-3-15-17(4-11)26-9-25-15/h2-6,13-14,20-21H,7-10H2,1H3 |
| InChI Key | CXRGUJLWMNJJDZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O7 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 5-[3-(1,3-Benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-6-methoxy-1,3-benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/5-3-13-benzodioxol-5-yl-133a466a-hexahydrofuro34-cfuran-6-yl-6-methoxy-13-benzodioxole.jpg "2D Structure of 5-[3-(1,3-Benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-6-methoxy-1,3-benzodioxole")
| 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 | 95.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.81% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.95% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.32% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.30% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.31% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.80% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.15% | 95.56% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.13% | 88.48% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.25% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.79% | 94.80% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.51% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.67% | 82.67% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.71% | 80.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.83% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.43% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.70% | 89.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.34% | 85.49% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.82% | 100.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.34% | 89.44% |
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.
| Sesamum indicum |
| PubChem | 12315485 |
| LOTUS | LTS0202947 |
| wikiData | Q104969088 |