[2-(7-Methoxy-1,3-benzodioxol-5-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methanol
| Internal ID | 648adaa0-e3c2-42e0-a9d9-1340af8ea47b |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,9-epoxylignans |
| IUPAC Name | [2-(7-methoxy-1,3-benzodioxol-5-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methanol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H28O8/c1-25-17-6-13(7-18(26-2)22(17)28-4)5-15-11-29-21(16(15)10-24)14-8-19(27-3)23-20(9-14)30-12-31-23/h6-9,15-16,21,24H,5,10-12H2,1-4H3 |
| InChI Key | MYTSWJPGENHNDP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O8 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 84.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [2-(7-Methoxy-1,3-benzodioxol-5-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/2-7-methoxy-13-benzodioxol-5-yl-4-345-trimethoxyphenylmethyloxolan-3-ylmethanol.jpg "2D Structure of [2-(7-Methoxy-1,3-benzodioxol-5-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methanol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.36% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.94% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.55% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.86% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.60% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.71% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.25% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.08% | 86.33% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 90.00% | 85.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.54% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.74% | 97.14% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.65% | 89.44% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.35% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.45% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.39% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.95% | 95.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.37% | 96.61% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.73% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.48% | 96.00% |
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.
| Virola elongata |
| PubChem | 162871999 |
| LOTUS | LTS0124646 |
| wikiData | Q105175186 |