Manglieside B
| Internal ID | 1cf7f1f5-d753-402e-b196-4f65d640681d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-hydroxy-5-prop-2-enylphenoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O11/c1-2-3-10-4-5-11(22)12(6-10)30-18-16(25)15(24)14(23)13(31-18)7-28-19-17(26)20(27,8-21)9-29-19/h2,4-6,13-19,21-27H,1,3,7-9H2/t13-,14-,15+,16-,17+,18-,19-,20-/m1/s1 |
| InChI Key | IJQCJDUCBNKRAY-LTRJMQNCSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H28O11 |
| Molecular Weight | 444.40 g/mol |
| Exact Mass | 444.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -1.30 |
| CHEMBL1085764 |
| 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 | 99.70% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.55% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.75% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.57% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.14% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.13% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.55% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.93% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.72% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.66% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.95% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.94% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.82% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.38% | 98.95% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.31% | 95.83% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.27% | 86.33% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.48% | 96.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 82.30% | 96.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.27% | 90.00% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.21% | 97.78% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.80% | 83.57% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.77% | 86.92% |
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.
| Magnolia chevalieri |
| PubChem | 25111341 |
| LOTUS | LTS0103874 |
| wikiData | Q105114061 |