(2S,4aR,5S,7aR)-2,5-bis(1,3-benzodioxol-5-yl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]dioxine
| Internal ID | 41c70b14-2d9f-4298-9b60-8b3f05b8c3fc |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | (2S,4aR,5S,7aR)-2,5-bis(1,3-benzodioxol-5-yl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]dioxine |
| SMILES (Canonical) | C1C2C(COC2C3=CC4=C(C=C3)OCO4)OC(O1)C5=CC6=C(C=C5)OCO6 |
| SMILES (Isomeric) | C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)O[C@H](O1)C5=CC6=C(C=C5)OCO6 |
| InChI | InChI=1S/C20H18O7/c1-3-14-16(25-9-23-14)5-11(1)19-13-7-22-20(27-18(13)8-21-19)12-2-4-15-17(6-12)26-10-24-15/h1-6,13,18-20H,7-10H2/t13-,18-,19+,20-/m0/s1 |
| InChI Key | NMCACWIVSBCZQK-JZOCTASASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O7 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (2S,4aR,5S,7aR)-2,5-bis(1,3-benzodioxol-5-yl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]dioxine](https://plantaedb.com/storage/docs/compounds/2023/11/2s4ar5s7ar-25-bis13-benzodioxol-5-yl-4a577a-tetrahydro-4h-furo34-d13dioxine.jpg "2D Structure of (2S,4aR,5S,7aR)-2,5-bis(1,3-benzodioxol-5-yl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]dioxine")
| 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 | 95.43% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.49% | 94.80% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.58% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.35% | 95.56% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.02% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.68% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.61% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.60% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.75% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.98% | 89.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.29% | 86.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.08% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.88% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.86% | 100.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.23% | 85.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.50% | 92.62% |
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.
| Camellia oleifera |
| PubChem | 163194271 |
| LOTUS | LTS0244857 |
| wikiData | Q105181691 |