[2-(3,4,5-Trimethoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl 2-methylbut-2-enoate
| Internal ID | ced3c283-cbcf-464d-a2de-ebd81e92d689 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,9-epoxylignans |
| IUPAC Name | [2-(3,4,5-trimethoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H38O9/c1-9-17(2)29(30)38-16-21-20(10-18-11-22(31-3)27(35-7)23(12-18)32-4)15-37-26(21)19-13-24(33-5)28(36-8)25(14-19)34-6/h9,11-14,20-21,26H,10,15-16H2,1-8H3 |
| InChI Key | YRWPMMBXIDHIDN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38O9 |
| Molecular Weight | 530.60 g/mol |
| Exact Mass | 530.25158279 g/mol |
| Topological Polar Surface Area (TPSA) | 90.90 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of [2-(3,4,5-Trimethoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/8ee35000-8626-11ee-a398-d53fe0d0046d.jpg "2D Structure of [2-(3,4,5-Trimethoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl 2-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.85% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.70% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.77% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.51% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.80% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.69% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.46% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.45% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.38% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.57% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.87% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.80% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.97% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.93% | 91.19% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.75% | 92.98% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.25% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.37% | 94.73% |
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.
| Filago congesta |
| PubChem | 77547791 |
| LOTUS | LTS0209733 |
| wikiData | Q105353180 |