(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
| Internal ID | 42daef62-0fd2-404d-b0fc-4b4606c29e81 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24O6/c1-23-9-15-5-14-7-20-21(28-12-27-20)8-16(14)22(17(15)10-24-2)13-3-4-18-19(6-13)26-11-25-18/h3-4,6-8,15,17,22H,5,9-12H2,1-2H3/t15-,17-,22-/m0/s1 |
| InChI Key | XNZRAIUXPDCEOA-YHEJKZAPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H24O6 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/7614e410-8642-11ee-a99d-5db490ee170a.jpg "2D Structure of (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][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 | 97.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.65% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.19% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.19% | 94.80% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 91.46% | 80.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.11% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.50% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.81% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.02% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.84% | 94.73% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 85.50% | 92.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.20% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.61% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.58% | 88.48% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.87% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.28% | 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.
| Phyllanthus niruri |
| PubChem | 162913797 |
| LOTUS | LTS0066637 |
| wikiData | Q105337628 |