asparagoside F
| Internal ID | dff153da-9c0f-4ae3-b4c3-184741de1ece |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | 2-[3-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(CO9)O)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)C)C)C)OC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(CO9)O)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)C)C)C)OC1 |
| InChI | InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-47-40(62)43(71-45-38(60)35(57)34(56)29(15-51)66-45)42(31(17-53)68-47)70-46-39(61)36(58)41(30(16-52)67-46)69-44-37(59)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3 |
| InChI Key | JGMVGSROWHLFSW-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C50H82O22 |
| Molecular Weight | 1035.20 g/mol |
| Exact Mass | 1034.52977424 g/mol |
| Topological Polar Surface Area (TPSA) | 335.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
| 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 | 98.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.48% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.37% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.41% | 97.93% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 93.99% | 98.10% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.04% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.49% | 95.58% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.90% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.49% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.10% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.02% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.93% | 96.77% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.74% | 89.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.73% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.13% | 92.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.99% | 92.86% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 87.91% | 97.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.23% | 92.50% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.35% | 96.21% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.74% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.55% | 97.29% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 84.27% | 97.31% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.98% | 97.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.06% | 91.24% |
| CHEMBL204 | P00734 | Thrombin | 82.95% | 96.01% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.71% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.06% | 96.38% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.38% | 100.00% |
| CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 81.28% | 96.67% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.11% | 93.10% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.11% | 98.99% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.82% | 80.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.59% | 95.89% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.34% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.26% | 89.00% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.11% | 95.36% |
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 officinalis |
| PubChem | 131750849 |
| LOTUS | LTS0273728 |
| wikiData | Q105127542 |