2-(Hydroxymethyl)-6-[3-[2-(4-hydroxyphenyl)ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
| Internal ID | a75c3750-41e9-4f47-b36f-9612a9e50698 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-[3-[2-(4-hydroxyphenyl)ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| InChI | InChI=1S/C26H32O13/c27-10-17-19(30)21(32)23(34)25(38-17)36-15-7-13(2-1-12-3-5-14(29)6-4-12)8-16(9-15)37-26-24(35)22(33)20(31)18(11-28)39-26/h1-9,17-35H,10-11H2 |
| InChI Key | LKWXYXPBNAKWNA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O13 |
| Molecular Weight | 552.50 g/mol |
| Exact Mass | 552.18429107 g/mol |
| Topological Polar Surface Area (TPSA) | 219.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[3-[2-(4-hydroxyphenyl)ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/048d89d0-856f-11ee-9bbd-73d111817c1f.jpg "2D Structure of 2-(Hydroxymethyl)-6-[3-[2-(4-hydroxyphenyl)ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.81% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.89% | 95.93% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.75% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 91.13% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.26% | 98.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.20% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.47% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.36% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.79% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.59% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.78% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.19% | 86.92% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.11% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.65% | 99.17% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.38% | 89.67% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.14% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.20% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.04% | 98.95% |
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.
| Carex distachya |
| Vitis vinifera |
| PubChem | 73223748 |
| LOTUS | LTS0074089 |
| wikiData | Q105153322 |