Filiasparoside A
| Internal ID | 02772147-851f-43ea-bd31-da70cf4c2771 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H68O17/c1-18-7-10-43(56-14-18)19(2)30-27(60-43)12-24-22-6-5-20-11-21(8-9-41(20,3)23(22)13-29(46)42(24,30)4)57-40-36(52)33(49)37(59-39-35(51)32(48)26(45)16-54-39)28(58-40)17-55-38-34(50)31(47)25(44)15-53-38/h18-28,30-40,44-45,47-52H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27+,28-,30+,31+,32+,33-,34-,35-,36-,37-,38+,39+,40-,41+,42-,43-/m1/s1 |
| InChI Key | OUCDJSWSAODKNK-GDFVMKDDSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C43H68O17 |
| Molecular Weight | 857.00 g/mol |
| Exact Mass | 856.44565070 g/mol |
| Topological Polar Surface Area (TPSA) | 253.00 Ų |
| XlogP | -0.40 |
| 4'-o-Xylosylfiliasparoside B |
| UNII-08OF14PBWC |
| 08OF14PBWC |
| 948048-13-3 |
| Spirostan-12-one, 3-((o-alpha-L-arabinopyranosyl-(1->6)-O-(beta-D-xylopyranosyl-(1->4))-beta-D-glucopyranosyl)oxy)-, (3beta,5alpha,25R)- |
| CHEMBL251654 |
| Q27236414 |
| SPIROSTAN-12-ONE, 3-((O-.ALPHA.-L-ARABINOPYRANOSYL-(1->6)-O-(.BETA.-D-XYLOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSYL)OXY)-, (3.BETA.,5.ALPHA.,25R)- |
| 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 | 98.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.05% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.17% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.04% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.86% | 92.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.85% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.60% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.47% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.36% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.18% | 92.94% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.11% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.51% | 86.33% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 85.29% | 95.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.20% | 91.49% |
| CHEMBL204 | P00734 | Thrombin | 82.84% | 96.01% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.25% | 97.50% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.79% | 97.78% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.71% | 92.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.62% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.44% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.56% | 89.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.55% | 97.93% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.23% | 80.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.11% | 94.00% |
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 | 23627127 |
| LOTUS | LTS0113283 |
| wikiData | Q27236414 |