Liriope muscari baily Saponins
| Internal ID | 1f8fe904-ac60-4db3-ae48-4486b0c55afc |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | 2-[5-hydroxy-2-(16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H70O17/c1-18-8-11-44(55-16-18)19(2)30-27(61-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)58-41-38(60-40-36(53)34(51)33(50)28(15-45)57-40)37(31(48)20(3)56-41)59-39-35(52)32(49)26(47)17-54-39/h6,18-20,22-41,45-53H,7-17H2,1-5H3 |
| InChI Key | XTGHTMMHUVFPBQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H70O17 |
| Molecular Weight | 871.00 g/mol |
| Exact Mass | 870.46130076 g/mol |
| Topological Polar Surface Area (TPSA) | 256.00 Ų |
| XlogP | 0.50 |
| 130551-41-6 |
| FT-0776385 |
| 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 | 98.36% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.78% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.51% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.96% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.87% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.30% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.63% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.58% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.21% | 92.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.46% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.65% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.53% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.27% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.19% | 98.95% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.03% | 97.53% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.72% | 95.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.67% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.35% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.56% | 93.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.22% | 97.28% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.53% | 92.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.50% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| Liriope muscari |
| PubChem | 14682474 |
| LOTUS | LTS0181041 |
| wikiData | Q105341546 |