4-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2,6-dimethoxy-phenol
| Internal ID | b5e5da06-007f-44a7-a7cf-a267e77aaf12 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,7-epoxylignans |
| IUPAC Name | 4-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol |
| SMILES (Canonical) | CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C(=C3)OC)O)OC)C |
| SMILES (Isomeric) | C[C@H]1[C@H]([C@@H](O[C@@H]1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C(=C3)OC)O)OC)C |
| InChI | InChI=1S/C22H28O6/c1-12-13(2)22(15-10-18(26-5)20(23)19(11-15)27-6)28-21(12)14-7-8-16(24-3)17(9-14)25-4/h7-13,21-23H,1-6H3/t12-,13+,21-,22+/m0/s1 |
| InChI Key | AGYZMBXYRZJNNA-AHIIRKPMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 4.00 |
| 4-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2,6-dimethoxy-phenol |
![2D Structure of 4-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2,6-dimethoxy-phenol](https://plantaedb.com/storage/docs/compounds/2023/07/4-2r3r4s5s-5-34-dimethoxyphenyl-34-dimethyl-tetrahydrofuran-2-yl-26-dimethoxy-phenol.jpg "2D Structure of 4-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2,6-dimethoxy-phenol")
| 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 | 97.00% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.05% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.65% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.98% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.15% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.51% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.08% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.63% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.01% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.43% | 99.17% |
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.
| Saururus chinensis |
| PubChem | 76317427 |
| NPASS | NPC158331 |
| ChEMBL | CHEMBL3105538 |
| LOTUS | LTS0081794 |
| wikiData | Q104912107 |