2-[4-[2-(3,5-Dihydroxy-4-methylphenyl)ethenyl]-2-hydroxyphenoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
| Internal ID | eb614384-36c2-49f0-b63a-462ece0e4e12 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | 2-[4-[2-(3,5-dihydroxy-4-methylphenyl)ethenyl]-2-hydroxyphenoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1=C(C=C(C=C1O)C=CC2=CC(=C(C=C2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1=C(C=C(C=C1O)C=CC2=CC(=C(C=C2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C26H32O13/c1-11-14(27)7-13(8-15(11)28)3-2-12-4-5-18(16(29)6-12)38-26-24(35)22(33)21(32)19(39-26)10-37-25-23(34)20(31)17(30)9-36-25/h2-8,17,19-35H,9-10H2,1H3 |
| InChI Key | AIDKOFUVLPBJBZ-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 | -0.70 |
| There are no found synonyms. |
![2D Structure of 2-[4-[2-(3,5-Dihydroxy-4-methylphenyl)ethenyl]-2-hydroxyphenoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/ca6fcd80-8550-11ee-8d6d-1531e9cb0f12.jpg "2D Structure of 2-[4-[2-(3,5-Dihydroxy-4-methylphenyl)ethenyl]-2-hydroxyphenoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]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 | 98.19% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.92% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.60% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.04% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.47% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.49% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.22% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.66% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.33% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 88.93% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.98% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.34% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.58% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.56% | 86.92% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.11% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.61% | 90.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.48% | 96.90% |
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.
| Elsholtzia bodinieri |
| PubChem | 163037289 |
| LOTUS | LTS0101216 |
| wikiData | Q104912667 |