(1S,2R)-1-[4-(1,3-dihydroxypropan-2-yloxy)-3,5-dimethoxyphenyl]-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
| Internal ID | 5d6f95ba-e894-4d40-b114-50dede553493 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (1S,2R)-1-[4-(1,3-dihydroxypropan-2-yloxy)-3,5-dimethoxyphenyl]-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H36O11/c1-31-18-8-15(6-5-7-26)9-19(32-2)25(18)36-22(14-29)23(30)16-10-20(33-3)24(21(11-16)34-4)35-17(12-27)13-28/h8-11,17,22-23,26-30H,5-7,12-14H2,1-4H3/t22-,23+/m1/s1 |
| InChI Key | WFBOEYGGPYVKBR-PKTZIBPZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H36O11 |
| Molecular Weight | 512.50 g/mol |
| Exact Mass | 512.22576196 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of (1S,2R)-1-[4-(1,3-dihydroxypropan-2-yloxy)-3,5-dimethoxyphenyl]-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/b11d9460-85a4-11ee-9731-f9b21dba5fbe.jpg "2D Structure of (1S,2R)-1-[4-(1,3-dihydroxypropan-2-yloxy)-3,5-dimethoxyphenyl]-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol")
| 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 | 98.74% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.58% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.37% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.59% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.91% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.12% | 90.20% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.45% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.52% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.43% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.00% | 98.75% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.58% | 87.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.33% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.13% | 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.
| Illicium difengpi |
| PubChem | 46887084 |
| LOTUS | LTS0132039 |
| wikiData | Q105303747 |