5-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethoxybutyl]-1,3-benzodioxole
| Internal ID | 402d9eda-9ffc-4c31-9156-b659dcd7c75c |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 5-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethoxybutyl]-1,3-benzodioxole |
| SMILES (Canonical) | COC(CC1=CC2=C(C=C1)OCO2)C(CC3=CC4=C(C=C3)OCO4)OC |
| SMILES (Isomeric) | CO[C@H](CC1=CC2=C(C=C1)OCO2)[C@@H](CC3=CC4=C(C=C3)OCO4)OC |
| InChI | InChI=1S/C20H22O6/c1-21-17(7-13-3-5-15-19(9-13)25-11-23-15)18(22-2)8-14-4-6-16-20(10-14)26-12-24-16/h3-6,9-10,17-18H,7-8,11-12H2,1-2H3/t17-,18-/m1/s1 |
| InChI Key | GZNBWHVYMMHYHA-QZTJIDSGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 5-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethoxybutyl]-1,3-benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/5-2r3r-4-13-benzodioxol-5-yl-23-dimethoxybutyl-13-benzodioxole.jpg "2D Structure of 5-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethoxybutyl]-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.93% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.17% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.13% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.84% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.94% | 94.80% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.70% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.22% | 92.62% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.39% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.63% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.38% | 95.89% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 85.98% | 93.24% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.52% | 85.30% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.24% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.10% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.09% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.63% | 90.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.35% | 80.96% |
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.
| There are no matching plants. |
| PubChem | 163030273 |
| LOTUS | LTS0193499 |
| wikiData | Q105024468 |