25-Epiruizgenin 3-[4''-rhamnosylglucoside]
Internal ID | a81d207c-ff6c-454c-8e2f-3e0d5a14bffc |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
IUPAC Name | 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(19-hydroxy-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]oxy-6-methyloxane-3,4,5-triol |
SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)O)C)C)OC1 |
SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)O)C)C)OC1 |
InChI | InChI=1S/C39H64O13/c1-17-6-11-39(47-16-17)18(2)28-26(52-39)14-23-21-13-25(41)24-12-20(7-9-37(24,4)22(21)8-10-38(23,28)5)49-36-33(46)31(44)34(27(15-40)50-36)51-35-32(45)30(43)29(42)19(3)48-35/h17-36,40-46H,6-16H2,1-5H3 |
InChI Key | XZCHKGLKFIFPOH-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C39H64O13 |
Molecular Weight | 740.90 g/mol |
Exact Mass | 740.43469209 g/mol |
Topological Polar Surface Area (TPSA) | 197.00 Ų |
XlogP | 1.90 |
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 | 97.68% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 95.50% | 97.31% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.98% | 96.61% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.45% | 97.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 93.06% | 95.93% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.77% | 100.00% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.46% | 95.50% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.43% | 97.25% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.22% | 92.86% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.16% | 89.00% |
CHEMBL237 | P41145 | Kappa opioid receptor | 88.69% | 98.10% |
CHEMBL206 | P03372 | Estrogen receptor alpha | 87.82% | 97.64% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 87.70% | 97.86% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.53% | 89.05% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.07% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.42% | 94.45% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.12% | 95.58% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.49% | 86.92% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.44% | 96.21% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.06% | 91.71% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.99% | 95.89% |
CHEMBL233 | P35372 | Mu opioid receptor | 84.80% | 97.93% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.37% | 92.62% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.91% | 100.00% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.47% | 97.50% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.91% | 92.50% |
CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.77% | 92.32% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.01% | 92.94% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.17% | 97.29% |
CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.14% | 95.00% |
CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.71% | 95.92% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.65% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 80.49% | 91.49% |
CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.45% | 98.99% |
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.
Allium tuberosum |
PubChem | 75056631 |
LOTUS | LTS0017294 |
wikiData | Q105344848 |