Asparanin D
| Internal ID | 2eb9ffd7-bf03-422f-a03c-ce9d69cf61b8 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | 2-[[4-hydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(CO9)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)C)C)C)OC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(CO9)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)C)C)C)OC1 |
| InChI | InChI=1S/C50H82O21/c1-20-8-13-50(64-17-20)21(2)32-29(71-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,32)5)66-47-43(70-46-40(60)37(57)35(55)30(16-51)67-46)41(61)42(69-45-38(58)34(54)28(52)18-62-45)31(68-47)19-63-44-39(59)36(56)33(53)22(3)65-44/h20-47,51-61H,6-19H2,1-5H3 |
| InChI Key | FFAHEGKVGQPZOA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C50H82O21 |
| Molecular Weight | 1019.20 g/mol |
| Exact Mass | 1018.53485962 g/mol |
| Topological Polar Surface Area (TPSA) | 315.00 Ų |
| XlogP | 0.10 |
| Asparanin D |
| DTXSID401004120 |
| beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-ylO-alpha-L-arabinopyranosyl-(1->4)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->6))-O-(beta-D-glucopyranosyl-(1->2))- |
| spirostan-3-yl 6-deoxyhexopyranosyl-(1->6)-[hexopyranosyl-(1->2)]-[pentopyranosyl-(1->4)]hexopyranoside |
| 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 | 98.38% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.11% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 96.58% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.36% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.74% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.00% | 96.61% |
| CHEMBL204 | P00734 | Thrombin | 94.37% | 96.01% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 92.58% | 98.10% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 92.24% | 89.05% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 91.66% | 97.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.28% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.21% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.12% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.68% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.42% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.59% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.76% | 92.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.72% | 95.58% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 87.67% | 97.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.79% | 91.49% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 85.80% | 97.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.71% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.96% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.54% | 96.21% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.04% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.66% | 96.43% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.63% | 92.86% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.35% | 93.04% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.76% | 95.83% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.57% | 86.92% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.23% | 93.10% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.20% | 100.00% |
| CHEMBL2094128 | P24941 | Cyclin-dependent kinase 2/cyclin A | 82.11% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.11% | 95.89% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.11% | 80.33% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.04% | 92.32% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.77% | 95.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.39% | 86.33% |
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 racemosus |
| PubChem | 158595 |
| LOTUS | LTS0146699 |
| wikiData | Q82998956 |