[4-[[3-Acetyloxy-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2,6-dimethoxyphenyl] acetate
| Internal ID | 197bb2f1-94cc-40b8-90c8-e26c3f44937e |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans |
| IUPAC Name | [4-[[3-acetyloxy-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2,6-dimethoxyphenyl] acetate |
| SMILES (Canonical) | CC(=O)OC1=C(C=C(C=C1OC)CC2(C(COC2=O)CC3=CC(=C(C=C3)OC)OC)OC(=O)C)OC |
| SMILES (Isomeric) | CC(=O)OC1=C(C=C(C=C1OC)CC2(C(COC2=O)CC3=CC(=C(C=C3)OC)OC)OC(=O)C)OC |
| InChI | InChI=1S/C26H30O10/c1-15(27)35-24-22(32-5)11-18(12-23(24)33-6)13-26(36-16(2)28)19(14-34-25(26)29)9-17-7-8-20(30-3)21(10-17)31-4/h7-8,10-12,19H,9,13-14H2,1-6H3 |
| InChI Key | CVLHUCLJJUHFBD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O10 |
| Molecular Weight | 502.50 g/mol |
| Exact Mass | 502.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [4-[[3-Acetyloxy-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2,6-dimethoxyphenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/caed4610-8632-11ee-a9e7-9ff933ded6ec.jpg "2D Structure of [4-[[3-Acetyloxy-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2,6-dimethoxyphenyl] 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.91% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.17% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.81% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.07% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.82% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.14% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.72% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.82% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.79% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.62% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.56% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.67% | 83.82% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.32% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.02% | 95.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.61% | 97.28% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.33% | 96.76% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.18% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.09% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.64% | 95.89% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.21% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.59% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.18% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.00% | 95.56% |
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.
| Cunninghamia lanceolata |
| PubChem | 162893185 |
| LOTUS | LTS0046233 |
| wikiData | Q104970848 |