Ligurobustoside M
| Internal ID | b7591029-2733-4380-a5d9-bf7122e31d14 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H40O15/c1-10-15(29)17(31)19(33)25(37-10)40-22-11(2)38-26(20(34)18(22)32)41-23-16(30)14(9-27)39-24(21(23)35)36-8-7-12-3-5-13(28)6-4-12/h3-6,10-11,14-35H,7-9H2,1-2H3/t10-,11-,14+,15-,16+,17+,18-,19+,20+,21+,22-,23-,24+,25-,26-/m0/s1 |
| InChI Key | PZNQCWWNVMGWAG-MWLFWLFYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H40O15 |
| Molecular Weight | 592.60 g/mol |
| Exact Mass | 592.23672056 g/mol |
| Topological Polar Surface Area (TPSA) | 237.00 Ų |
| XlogP | -2.60 |
| CHEMBL448458 |
| (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-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 | 97.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.98% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.38% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.37% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.32% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.07% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.88% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.54% | 94.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.96% | 94.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.86% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.82% | 95.89% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.12% | 85.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.72% | 97.25% |
| CHEMBL1944 | P08473 | Neprilysin | 81.34% | 92.63% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.02% | 97.36% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.73% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.16% | 98.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.16% | 91.49% |
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.
| Ligustrum robustum |
| PubChem | 10371226 |
| LOTUS | LTS0076879 |
| wikiData | Q105217049 |