Torvoside B
| Internal ID | 7b8db9e3-4646-49e7-870a-24cbea70a309 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | 2-[4-[19-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-16-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC1C2C(CC3C2(CCC4C3CC(C5C4(CCC(C5)O)C)OC6C(C(C(C(O6)C)O)OC7C(C(C(CO7)O)O)O)O)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)OC |
| SMILES (Isomeric) | CC1C2C(CC3C2(CCC4C3CC(C5C4(CCC(C5)O)C)OC6C(C(C(C(O6)C)O)OC7C(C(C(CO7)O)O)O)O)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)OC |
| InChI | InChI=1S/C45H76O18/c1-19(17-57-40-37(54)35(52)34(51)30(16-46)61-40)7-12-45(56-6)20(2)31-29(63-45)15-25-23-14-28(26-13-22(47)8-10-43(26,4)24(23)9-11-44(25,31)5)60-42-38(55)39(32(49)21(3)59-42)62-41-36(53)33(50)27(48)18-58-41/h19-42,46-55H,7-18H2,1-6H3 |
| InChI Key | QIFQLOORQYNSPD-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C45H76O18 |
| Molecular Weight | 905.10 g/mol |
| Exact Mass | 904.50316557 g/mol |
| Topological Polar Surface Area (TPSA) | 276.00 Ų |
| XlogP | 0.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.79% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 96.47% | 96.01% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.01% | 95.93% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 95.18% | 92.88% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.76% | 96.61% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 93.19% | 92.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.99% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.08% | 97.09% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 91.05% | 95.36% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.56% | 98.10% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.85% | 92.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.80% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.73% | 97.93% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 89.06% | 97.86% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.09% | 92.98% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.56% | 100.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 86.34% | 97.31% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.89% | 95.58% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.21% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.98% | 93.18% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 84.96% | 92.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.94% | 92.94% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 84.48% | 97.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.40% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.17% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.13% | 96.43% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.10% | 96.21% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 83.95% | 91.96% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.83% | 97.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.69% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.80% | 97.33% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.70% | 98.46% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.53% | 94.75% |
| CHEMBL2360 | P00492 | Hypoxanthine-guanine phosphoribosyltransferase | 80.97% | 87.38% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.94% | 89.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.83% | 89.05% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.41% | 91.03% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.18% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.07% | 95.50% |
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.
| Solanum torvum |
| PubChem | 131753158 |
| LOTUS | LTS0199287 |
| wikiData | Q105221348 |