[2-(3,4-Dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl 2-methylbut-2-enoate
| Internal ID | c709027f-1872-4023-8990-62a926390b76 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,9-epoxylignans |
| IUPAC Name | [2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OCC1C(COC1C2=CC(=C(C=C2)OC)OC)CC3=CC(=C(C=C3)OC)OC |
| SMILES (Isomeric) | CC=C(C)C(=O)OCC1C(COC1C2=CC(=C(C=C2)OC)OC)CC3=CC(=C(C=C3)OC)OC |
| InChI | InChI=1S/C27H34O7/c1-7-17(2)27(28)34-16-21-20(12-18-8-10-22(29-3)24(13-18)31-5)15-33-26(21)19-9-11-23(30-4)25(14-19)32-6/h7-11,13-14,20-21,26H,12,15-16H2,1-6H3 |
| InChI Key | ZODXGUUEHGOUMO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H34O7 |
| Molecular Weight | 470.60 g/mol |
| Exact Mass | 470.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of [2-(3,4-Dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-34-dimethoxyphenyl-4-34-dimethoxyphenylmethyloxolan-3-ylmethyl-2-methylbut-2-enoate.jpg "2D Structure of [2-(3,4-Dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)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 | 99.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.22% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.73% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.15% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.04% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.44% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.40% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.99% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.72% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.23% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.15% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.52% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.36% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.63% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.37% | 93.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.10% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.96% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.70% | 95.50% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.36% | 85.49% |
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 | 77547513 |
| LOTUS | LTS0067630 |
| wikiData | Q104995398 |