Bis[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-hydroxy-2-propan-2-ylbutanedioate
| Internal ID | 7306c9bb-8a44-4fb6-9739-45a00cbd1beb |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | bis[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-hydroxy-2-propan-2-ylbutanedioate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H44O17/c1-16(2)33(44,32(43)46-15-18-5-9-20(10-6-18)48-31-29(42)27(40)25(38)22(13-35)50-31)11-23(36)45-14-17-3-7-19(8-4-17)47-30-28(41)26(39)24(37)21(12-34)49-30/h3-10,16,21-22,24-31,34-35,37-42,44H,11-15H2,1-2H3 |
| InChI Key | DTPHGPMYQBNIDH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H44O17 |
| Molecular Weight | 712.70 g/mol |
| Exact Mass | 712.25784993 g/mol |
| Topological Polar Surface Area (TPSA) | 272.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of Bis[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-hydroxy-2-propan-2-ylbutanedioate](https://plantaedb.com/storage/docs/compounds/2023/11/b08b1db0-871e-11ee-9582-d7a27ab03580.jpg "2D Structure of Bis[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-hydroxy-2-propan-2-ylbutanedioate")
| 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 | 98.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.53% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.56% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.98% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.69% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.40% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.66% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.30% | 94.73% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.68% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.04% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.59% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.48% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.38% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.65% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.89% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.66% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.49% | 97.79% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.25% | 85.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.21% | 86.33% |
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.
| Galeola faberi |
| PubChem | 10078522 |
| LOTUS | LTS0195210 |
| wikiData | Q104988966 |