(2R,3R,4R,5S,6R)-2-[4-[(1S,2S,3E)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2-dihydroinden-1-yl]-2,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 7bf56833-b276-4653-8cae-cd9a4746004f |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | (2R,3R,4R,5S,6R)-2-[4-[(1S,2S,3E)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2-dihydroinden-1-yl]-2,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H42O16/c41-13-25-32(48)35(51)37(53)39(55-25)30-22(45)10-17(11-23(30)46)28-27(16-3-7-19(44)8-4-16)20(9-15-1-5-18(43)6-2-15)21-12-24(47)31(34(50)29(21)28)40-38(54)36(52)33(49)26(14-42)56-40/h1-12,25-28,32-33,35-54H,13-14H2/b20-9-/t25-,26-,27+,28-,32-,33-,35+,36+,37-,38-,39-,40-/m1/s1 |
| InChI Key | HYDHYXXMXHPISD-LHPZLNMLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H42O16 |
| Molecular Weight | 778.70 g/mol |
| Exact Mass | 778.24728525 g/mol |
| Topological Polar Surface Area (TPSA) | 302.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4R,5S,6R)-2-[4-[(1S,2S,3E)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2-dihydroinden-1-yl]-2,6-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/61c8c980-8744-11ee-9fd7-2902890a4383.jpg "2D Structure of (2R,3R,4R,5S,6R)-2-[4-[(1S,2S,3E)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2-dihydroinden-1-yl]-2,6-dihydroxyphenyl]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.46% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.33% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.38% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.77% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.55% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.43% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.30% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.14% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.19% | 91.71% |
| CHEMBL3194 | P02766 | Transthyretin | 88.26% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.92% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.37% | 86.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.85% | 89.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.50% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.81% | 99.15% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.58% | 97.33% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.10% | 85.11% |
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.
| Rubroshorea hemsleyana |
| PubChem | 163188941 |
| LOTUS | LTS0059838 |
| wikiData | Q105035252 |