(2R,3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol
| Internal ID | 94e865d6-b466-4dde-a144-e4dbf31fb359 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactols |
| IUPAC Name | (2R,3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CC2COC(C2CC3=CC(=C(C(=C3)OC)OC)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C[C@@H]2CO[C@H]([C@H]2CC3=CC(=C(C(=C3)OC)OC)OC)O)OC |
| InChI | InChI=1S/C23H30O7/c1-25-18-7-6-14(10-19(18)26-2)8-16-13-30-23(24)17(16)9-15-11-20(27-3)22(29-5)21(12-15)28-4/h6-7,10-12,16-17,23-24H,8-9,13H2,1-5H3/t16-,17+,23-/m1/s1 |
| InChI Key | QXAUCBFJOSRRCE-SAHWJRBASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O7 |
| Molecular Weight | 418.50 g/mol |
| Exact Mass | 418.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s4s-4-34-dimethoxyphenylmethyl-3-345-trimethoxyphenylmethyloxolan-2-ol.jpg "2D Structure of (2R,3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol")
| 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 | 97.96% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.82% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.66% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.97% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.07% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.57% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.36% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.65% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.35% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.42% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.38% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.80% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.69% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.33% | 83.82% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.33% | 97.50% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.00% | 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.
| Piper nigrum |
| PubChem | 163046079 |
| LOTUS | LTS0018787 |
| wikiData | Q105229497 |