(2S,3R,4S,5S,6R)-2-[4-[1,3-dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 66978b4e-b3f0-436d-b84b-81bf448202cf |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-[1,3-dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H34O13/c1-33-15-8-13(4-5-14(15)37-25-23(32)22(31)21(30)19(11-28)38-25)20(29)18(10-27)36-24-16(34-2)6-12(9-26)7-17(24)35-3/h4-8,18-23,25-32H,9-11H2,1-3H3/t18?,19-,20?,21-,22+,23-,25-/m1/s1 |
| InChI Key | FSFLLYHWCNLFMT-ZXLZCRPHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H34O13 |
| Molecular Weight | 542.50 g/mol |
| Exact Mass | 542.19994113 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S,6R)-2-[4-[1,3-dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/7fe29da0-84e7-11ee-a833-591d2aabe20d.jpg "2D Structure of (2S,3R,4S,5S,6R)-2-[4-[1,3-dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]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% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.33% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.52% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.45% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.18% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.12% | 89.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.11% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.60% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.59% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.01% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.62% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.30% | 92.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.24% | 91.11% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 83.20% | 97.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.15% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.02% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.24% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.86% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.61% | 95.89% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.92% | 89.44% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.67% | 97.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.32% | 100.00% |
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.
| Hovenia trichocarpa |
| PubChem | 102120519 |
| LOTUS | LTS0123733 |
| wikiData | Q105000610 |