4-(3,4-Dimethoxybenzyl)-3-(4-hydroxy-3,5-dimethoxybenzyl)dihydro-2(3H)-furanone
| Internal ID | 1434be27-4f45-40af-a221-b09004f43dfa |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactone lignans |
| IUPAC Name | 4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)O)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)O)OC)OC |
| InChI | InChI=1S/C22H26O7/c1-25-17-6-5-13(9-18(17)26-2)7-15-12-29-22(24)16(15)8-14-10-19(27-3)21(23)20(11-14)28-4/h5-6,9-11,15-16,23H,7-8,12H2,1-4H3 |
| InChI Key | IWOQKLIGANPQAU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O7 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 3.60 |
| 4-(3,4-Dimethoxybenzyl)-3-(4-hydroxy-3,5-dimethoxybenzyl)dihydro-2(3H)-furanone |
| 4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]tetrahydrofuran-2-one |
| 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 | 97.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.14% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.72% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.29% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.45% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.81% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.10% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.71% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.12% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.53% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.46% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.14% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.10% | 90.20% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.54% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.44% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.26% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.33% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.64% | 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.
| Virola elongata |
| PubChem | 495972 |
| LOTUS | LTS0080427 |
| wikiData | Q105121772 |