Moniloside H
| Internal ID | 6a944b0d-3cf1-4a2b-a09d-95a096aea225 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | (3S,4R,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-17-[(E,2R,5R)-5-[2-[(2R,3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-3-hydroxy-4-methoxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyethyl]-6-methylhept-3-en-2-yl]-10,13,14-trimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4,6,8,15,16-hexol |
| SMILES (Canonical) | CC(C)C(CCOC1C(C(C(CO1)OC2C(C(C(CO2)OC3C(C(C(CO3)O)OC)O)OC)O)O)O)C=CC(C)C4C(C(C5(C4(CCC6C5(CC(C7C6(CCC(C7O)O)C)O)O)C)C)O)O |
| SMILES (Isomeric) | C[C@H](/C=C/[C@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)OC)O)OC)O)O)O)C(C)C)[C@H]4[C@H]([C@H]([C@@]5([C@@]4(CC[C@H]6[C@]5(C[C@@H]([C@@H]7[C@@]6(CC[C@@H]([C@@H]7O)O)C)O)O)C)C)O)O |
| InChI | InChI=1S/C47H80O19/c1-21(2)23(10-9-22(3)30-34(53)40(57)46(6)45(30,5)15-12-29-44(4)14-11-24(48)32(51)31(44)25(49)17-47(29,46)58)13-16-61-41-35(54)33(52)27(19-63-41)65-43-37(56)39(60-8)28(20-64-43)66-42-36(55)38(59-7)26(50)18-62-42/h9-10,21-43,48-58H,11-20H2,1-8H3/b10-9+/t22-,23-,24+,25+,26-,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44-,45-,46-,47+/m1/s1 |
| InChI Key | NOLFDATWDFYFNG-AZBLXJQRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C47H80O19 |
| Molecular Weight | 949.10 g/mol |
| Exact Mass | 948.52938032 g/mol |
| Topological Polar Surface Area (TPSA) | 296.00 Ų |
| XlogP | -1.00 |
| CHEMBL503670 |
| 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 | 98.11% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.48% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.23% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.67% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.99% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.14% | 94.75% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.43% | 92.98% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.85% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.04% | 96.77% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.77% | 95.71% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.40% | 95.58% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.35% | 100.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 87.93% | 92.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.62% | 92.88% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.11% | 96.47% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.10% | 92.94% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 84.70% | 91.96% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 84.68% | 92.78% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.34% | 97.28% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.79% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.41% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.29% | 89.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.17% | 96.25% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.93% | 95.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.84% | 89.67% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.64% | 89.05% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.43% | 83.10% |
| CHEMBL5028 | O14672 | ADAM10 | 82.05% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.71% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.68% | 92.62% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.67% | 97.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.27% | 93.56% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.99% | 95.36% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.64% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.39% | 97.14% |
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.
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| There are no matching plants. |
| PubChem | 44575907 |
| LOTUS | LTS0084089 |
| wikiData | Q105182623 |