5-(1,3-Benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)oxolan-2-ol
| Internal ID | a3a93ce5-da9d-4066-9296-5dfa8b4e6db6 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,9-epoxylignans |
| IUPAC Name | 5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)oxolan-2-ol |
| SMILES (Canonical) | C1OC2=C(O1)C=C(C=C2)CC3C(C(OC3O)C4=CC5=C(C=C4)OCO5)CO |
| SMILES (Isomeric) | C1OC2=C(O1)C=C(C=C2)CC3C(C(OC3O)C4=CC5=C(C=C4)OCO5)CO |
| InChI | InChI=1S/C20H20O7/c21-8-14-13(5-11-1-3-15-17(6-11)25-9-23-15)20(22)27-19(14)12-2-4-16-18(7-12)26-10-24-16/h1-4,6-7,13-14,19-22H,5,8-10H2 |
| InChI Key | UKAWKJJAYPMFJL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O7 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
| 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 | 97.68% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.00% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.61% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.69% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.71% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.92% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.10% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.36% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.31% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.14% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.77% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.79% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.67% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.31% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.13% | 95.89% |
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.
| Lindera triloba |
| PubChem | 162897616 |
| LOTUS | LTS0175220 |
| wikiData | Q105274426 |