[[4-(1,3-Benzodioxole-5-carbonyl)-5-oxooxolan-3-yl]-(3,4-dimethoxyphenyl)methyl] acetate
| Internal ID | d5c646e3-2ae5-48c2-a388-6601b68a5eaa |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans |
| IUPAC Name | [[4-(1,3-benzodioxole-5-carbonyl)-5-oxooxolan-3-yl]-(3,4-dimethoxyphenyl)methyl] acetate |
| SMILES (Canonical) | CC(=O)OC(C1COC(=O)C1C(=O)C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC)OC |
| SMILES (Isomeric) | CC(=O)OC(C1COC(=O)C1C(=O)C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC)OC |
| InChI | InChI=1S/C23H22O9/c1-12(24)32-22(14-5-6-16(27-2)18(9-14)28-3)15-10-29-23(26)20(15)21(25)13-4-7-17-19(8-13)31-11-30-17/h4-9,15,20,22H,10-11H2,1-3H3 |
| InChI Key | VPEDPWUASQDKTN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O9 |
| Molecular Weight | 442.40 g/mol |
| Exact Mass | 442.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [[4-(1,3-Benzodioxole-5-carbonyl)-5-oxooxolan-3-yl]-(3,4-dimethoxyphenyl)methyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-13-benzodioxole-5-carbonyl-5-oxooxolan-3-yl-34-dimethoxyphenylmethyl-acetate.jpg "2D Structure of [[4-(1,3-Benzodioxole-5-carbonyl)-5-oxooxolan-3-yl]-(3,4-dimethoxyphenyl)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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 98.11% | 94.80% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.32% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.79% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.43% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.34% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.24% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.81% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.38% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.56% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.71% | 91.19% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.08% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.72% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.22% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.78% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.33% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.09% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.89% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.03% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.90% | 96.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.13% | 80.96% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.77% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.47% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.50% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.53% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.18% | 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.
| Piper obliquum |
| PubChem | 75579575 |
| LOTUS | LTS0114345 |
| wikiData | Q105290731 |