2-[4-[3-Hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 6a1adb80-eb04-4fa3-894a-5f05061f0ce8 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | 2-[4-[3-hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CCCO)OC(CC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)CO |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CCCO)OC(CC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)CO |
| InChI | InChI=1S/C26H36O11/c1-33-20-11-15(4-3-9-27)5-7-18(20)35-17(13-28)10-16-6-8-19(21(12-16)34-2)36-26-25(32)24(31)23(30)22(14-29)37-26/h5-8,11-12,17,22-32H,3-4,9-10,13-14H2,1-2H3 |
| InChI Key | GEDHAYKSNRLYHH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36O11 |
| Molecular Weight | 524.60 g/mol |
| Exact Mass | 524.22576196 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 2-[4-[3-Hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/7fa3d090-874b-11ee-8ca0-1b4d27f246aa.jpg "2D Structure of 2-[4-[3-Hydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 98.83% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.79% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.66% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.11% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.15% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.00% | 95.89% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.97% | 90.20% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.05% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.95% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.69% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.40% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.38% | 94.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.37% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.18% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.16% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.56% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.00% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.63% | 98.75% |
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.
| Picea glauca |
| PubChem | 162915236 |
| LOTUS | LTS0202145 |
| wikiData | Q105007091 |