2-Methyl-6-[[3,4,5-trihydroxy-6-[3-methoxy-5-[2-(4-methoxyphenyl)ethenyl]phenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
| Internal ID | 6d531299-8d73-45ab-b00d-8f090873690b |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | 2-methyl-6-[[3,4,5-trihydroxy-6-[3-methoxy-5-[2-(4-methoxyphenyl)ethenyl]phenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3)OC)C=CC4=CC=C(C=C4)OC)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3)OC)C=CC4=CC=C(C=C4)OC)O)O)O)O)O)O |
| InChI | InChI=1S/C28H36O12/c1-14-21(29)23(31)25(33)27(38-14)37-13-20-22(30)24(32)26(34)28(40-20)39-19-11-16(10-18(12-19)36-3)5-4-15-6-8-17(35-2)9-7-15/h4-12,14,20-34H,13H2,1-3H3 |
| InChI Key | PRUGKANHLGCFIS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H36O12 |
| Molecular Weight | 564.60 g/mol |
| Exact Mass | 564.22067658 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 2-Methyl-6-[[3,4,5-trihydroxy-6-[3-methoxy-5-[2-(4-methoxyphenyl)ethenyl]phenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/aadef270-871a-11ee-92da-0f684f241e79.jpg "2D Structure of 2-Methyl-6-[[3,4,5-trihydroxy-6-[3-methoxy-5-[2-(4-methoxyphenyl)ethenyl]phenoxy]oxan-2-yl]methoxy]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 | 98.94% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.14% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.38% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.75% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.84% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.04% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.75% | 97.36% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.26% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.04% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.02% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.02% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.11% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.87% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.36% | 97.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.45% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.35% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.32% | 99.17% |
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.
| Guibourtia coleosperma |
| Guibourtia tessmannii |
| PubChem | 162910739 |
| LOTUS | LTS0043348 |
| wikiData | Q105213919 |