(3E,4E)-3,4-bis(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
| Internal ID | 3458841d-e2fe-429a-9ee3-e24dda271fde |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans |
| IUPAC Name | (3E,4E)-3,4-bis(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one |
| SMILES (Canonical) | C1C(=CC2=CC3=C(C=C2)OCO3)C(=CC4=CC5=C(C=C4)OCO5)C(=O)O1 |
| SMILES (Isomeric) | C1/C(=C/C2=CC3=C(C=C2)OCO3)/C(=C\C4=CC5=C(C=C4)OCO5)/C(=O)O1 |
| InChI | InChI=1S/C20H14O6/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/h1-8H,9-11H2/b14-5-,15-6+ |
| InChI Key | YBTVCUSZMGXJNW-YOENDLTHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H14O6 |
| Molecular Weight | 350.30 g/mol |
| Exact Mass | 350.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.30 |
| SCHEMBL16656152 |
| DTXSID301159302 |
| ((3e,4e)-3,4-bis(1,3-benzodioxol-5-ylmethylene)dihydro-2(3h)-furanone) |
| (3E,4E)-3,4-Bis(1,3-benzodioxol-5-ylmethylene)dihydro-2(3H)-furanone |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 99.90% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.62% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.16% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.72% | 94.80% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.61% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.18% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.01% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.31% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.17% | 96.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.19% | 93.40% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.61% | 80.96% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.10% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.99% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.66% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.31% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.83% | 83.57% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.50% | 85.30% |
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.
| Taiwania cryptomerioides |
| PubChem | 10937021 |
| LOTUS | LTS0210516 |
| wikiData | Q105346053 |