[(3S,4R,5R)-3,4-dihydroxy-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-methoxybenzoate
| Internal ID | eee16e89-1530-4e7d-8d39-e71e6e7c429f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [(3S,4R,5R)-3,4-dihydroxy-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-methoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H34O13/c1-35-18-8-4-16(5-9-18)24(33)38-13-27(34)14-39-26(23(27)32)37-12-19-20(29)21(30)22(31)25(40-19)36-11-10-15-2-6-17(28)7-3-15/h2-9,19-23,25-26,28-32,34H,10-14H2,1H3/t19-,20-,21+,22+,23-,25-,26+,27+/m0/s1 |
| InChI Key | USMNLFDFNCAKRV-RQECUCIHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H34O13 |
| Molecular Weight | 566.50 g/mol |
| Exact Mass | 566.19994113 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of [(3S,4R,5R)-3,4-dihydroxy-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/a6bb6eb0-8558-11ee-8911-5d388636c797.jpg "2D Structure of [(3S,4R,5R)-3,4-dihydroxy-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-methoxybenzoate")
| 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 | 98.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.36% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.31% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.08% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.79% | 86.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 93.62% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.47% | 95.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.26% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.16% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.57% | 94.45% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.65% | 85.31% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.57% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.42% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.56% | 98.95% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.49% | 94.97% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.40% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.63% | 98.75% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.73% | 85.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.52% | 94.62% |
| CHEMBL3232685 | O00257 | E3 SUMO-protein ligase CBX4 | 81.91% | 93.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.78% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.68% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.58% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.26% | 94.73% |
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.
| There are no matching plants. |
| PubChem | 162904617 |
| LOTUS | LTS0218765 |
| wikiData | Q105278304 |