3,4-bis(2H-1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
| Internal ID | ce880f98-7ae7-4cb4-b274-cdf450150b55 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactols |
| IUPAC Name | 3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol |
| SMILES (Canonical) | C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
| SMILES (Isomeric) | C1C(C(C(O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
| InChI | InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2 |
| InChI Key | DIYWRNLYKJKHAM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20O6 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 3.40 |
| C20H20O6 |
| b-Cubebin |
| Tetrahydro-3,4-dipiperonylfuran-2-ol |
| 1242843-00-0 |
| SCHEMBL590751 |
| DTXSID60871975 |
| DIYWRNLYKJKHAM-UHFFFAOYSA-N |
| NSC147747 |
| AKOS024323386 |
| Tetrahydro-3,4-dipiperonyl-2-Furanol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.78% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.72% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.14% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.79% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.69% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.33% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.97% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.83% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.06% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.83% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.62% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.49% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.30% | 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.
| Aristolochia chamissonis |
| Aristolochia lagesiana |
| Lychnophora ericoides |
| Piper guineense |
| Piper nigrum |
| Virola flexuosa |
| Virola surinamensis |
| Virola venosa |
| PubChem | 287685 |
| LOTUS | LTS0051516 |
| wikiData | Q104981852 |