Mannioside A
| Internal ID | 844b5f24-b764-4273-b5f0-e80deecf02c9 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)O)C)OC1 |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]2([C@H]([C@]3([C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)C)C)O)C)OC1 |
| InChI | InChI=1S/C39H62O13/c1-18-8-13-38(47-17-18)20(3)39(46)27(52-38)15-25-23-7-6-21-14-22(9-11-36(21,4)24(23)10-12-37(25,39)5)49-35-32(45)33(29(42)26(16-40)50-35)51-34-31(44)30(43)28(41)19(2)48-34/h6,18-20,22-35,40-46H,7-17H2,1-5H3/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35-,36+,37+,38-,39-/m1/s1 |
| InChI Key | PESPHCXEIPYBIA-ROYLHSTISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C39H62O13 |
| Molecular Weight | 738.90 g/mol |
| Exact Mass | 738.41904203 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | 1.70 |
| CHEBI:66665 |
| (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol |
| (3beta,25R)-17-hydroxyspirost-5-en-3-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside |
| (2S,3R,4R,5R,6S)-2-((2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-((1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-16-yl)oxyoxan-4-yl)oxy-6-methyloxane-3,4,5-triol |
| RefChem:925285 |
| 1038922-95-0 |
| Pennogenin-3-O-alpha-L-rhamnopyranosyl-(1->3)-beta-D-glucopyranoside |
| 3beta,17alpha-dihydroxyspirost-5-ene-3-O-alpha-L-rhamnopyranosyl-(1->3)-beta-D-glucopyranoside |
| MANIOSIDE A |
| orb1682162 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.47% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.51% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.97% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.81% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.85% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.01% | 86.33% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 89.84% | 97.53% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.26% | 89.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.11% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.57% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.34% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.39% | 91.71% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.48% | 94.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.98% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.68% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.42% | 91.49% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.33% | 86.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.60% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.32% | 92.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.15% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.01% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.70% | 93.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.55% | 94.08% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.85% | 97.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.81% | 89.05% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.65% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.59% | 96.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.81% | 94.62% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.38% | 96.39% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.01% | 93.04% |
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.
| Dracaena arborea |
| Dracaena mannii |
| PubChem | 49799046 |
| NPASS | NPC42482 |
| ChEMBL | CHEMBL1169844 |
| LOTUS | LTS0212154 |
| wikiData | Q27135284 |