Dihydro-3-(alpha-acetoxypiperonyl)-4-piperonyl-2(3H)-furanone
| Internal ID | 6149076e-a0a9-40e8-8045-82561cd18d79 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans |
| IUPAC Name | [1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)-2-oxooxolan-3-yl]methyl] acetate |
| SMILES (Canonical) | CC(=O)OC(C1C(COC1=O)CC2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5 |
| SMILES (Isomeric) | CC(=O)OC(C1C(COC1=O)CC2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5 |
| InChI | InChI=1S/C22H20O8/c1-12(23)30-21(14-3-5-17-19(8-14)29-11-27-17)20-15(9-25-22(20)24)6-13-2-4-16-18(7-13)28-10-26-16/h2-5,7-8,15,20-21H,6,9-11H2,1H3 |
| InChI Key | DZEVWDCBSHRAMT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O8 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 3.10 |
| Dihydro-3-(.alpha.-acetoxypiperonyl)-4-piperonyl-2(3H)-furanone |
| 1,3-Benzodioxol-5-yl[4-(1,3-benzodioxol-5-ylmethyl)-2-oxotetrahydro-3-furanyl]methyl acetate # |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.05% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.36% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.25% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.07% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 97.71% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.59% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.91% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.74% | 85.14% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 89.92% | 96.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.84% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.75% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.67% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.00% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.00% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.33% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.17% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.83% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.06% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.42% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.23% | 90.00% |
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.
| Juniperus chinensis |
| PubChem | 541234 |
| LOTUS | LTS0156451 |
| wikiData | Q104991772 |