Filiasparoside C
| Internal ID | cbcc7271-7fce-419d-abd1-5dcc84ef8286 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | (2R,3S,4R,5S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8CC(C(C(O8)C)O)O)O)OC9C(C(C(CO9)O)O)O)C)C)C)OC1 |
| SMILES (Isomeric) | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8C[C@@H]([C@H]([C@@H](O8)C)O)O)O)O[C@@H]9[C@H]([C@@H]([C@H](CO9)O)O)O)C)C)C)OC1 |
| InChI | InChI=1S/C44H72O15/c1-20-8-13-44(53-18-20)21(2)33-30(59-44)15-27-25-7-6-23-14-24(9-11-42(23,4)26(25)10-12-43(27,33)5)55-41-39(58-40-36(50)35(49)29(47)19-52-40)37(51)38(31(17-45)56-41)57-32-16-28(46)34(48)22(3)54-32/h20-41,45-51H,6-19H2,1-5H3/t20-,21-,22-,23+,24-,25+,26-,27-,28-,29-,30-,31+,32-,33-,34-,35+,36-,37-,38+,39+,40+,41+,42-,43-,44+/m0/s1 |
| InChI Key | FRNFDPWFRZTRKH-AOXZOSFBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C44H72O15 |
| Molecular Weight | 841.00 g/mol |
| Exact Mass | 840.48712159 g/mol |
| Topological Polar Surface Area (TPSA) | 215.00 Ų |
| XlogP | 2.70 |
| CHEMBL251480 |
| 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 | 98.03% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.60% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.20% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 93.98% | 97.93% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.67% | 95.58% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.97% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.89% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.64% | 95.93% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.54% | 98.10% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 90.79% | 97.31% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 90.44% | 95.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.29% | 94.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.75% | 92.86% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 88.95% | 97.86% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.64% | 92.94% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.37% | 95.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.48% | 92.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.34% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.81% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.23% | 97.25% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.80% | 97.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.47% | 96.77% |
| CHEMBL204 | P00734 | Thrombin | 85.23% | 96.01% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.81% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.11% | 89.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.11% | 97.29% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.95% | 95.89% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 83.68% | 87.16% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.02% | 92.62% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.87% | 98.99% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.81% | 97.64% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 82.32% | 95.36% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.31% | 96.21% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.28% | 92.32% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.17% | 97.28% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.04% | 80.33% |
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.
| Asparagus filicinus |
| PubChem | 44445742 |
| LOTUS | LTS0010511 |
| wikiData | Q105000299 |