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CHEBI:9110 - senegin II
| Formula | C70H104O32 |
| Net Charge | 0 |
| Average Mass | 1457.570 |
| Monoisotopic Mass | 1456.65107 |
| SMILES | [H][C@@]1(O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C3=CC[C@]5([H])[C@@]6(C)C[C@H](O)[C@H](O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)[C@]6([H])CC[C@@]5(C)[C@]3(CO)CC4)O[C@H](C)[C@H](OC(=O)/C=C/c3ccc(OC)c(OC)c3)[C@@H]2O)O[C@@H](C)[C@H](O[C@]2([H])OC[C@@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C70H104O32/c1-29-54(99-58-49(82)45(78)39(27-92-58)97-60-50(83)46(79)43(76)37(25-71)95-60)48(81)52(85)59(93-29)100-56-53(86)55(98-42(75)15-11-31-10-13-35(90-8)36(22-31)91-9)30(2)94-62(56)102-64(89)69-19-18-65(3,4)23-33(69)32-12-14-40-66(5)24-34(74)57(101-61-51(84)47(80)44(77)38(26-72)96-61)68(7,63(87)88)41(66)16-17-67(40,6)70(32,28-73)21-20-69/h10-13,15,22,29-30,33-34,37-41,43-62,71-74,76-86H,14,16-21,23-28H2,1-9H3,(H,87,88)/b15-11+/t29-,30+,33-,34-,37+,38+,39+,40+,41+,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,66+,67+,68-,69-,70-/m0/s1 |
| InChIKey | MNXFXXWQAAMVMW-JEIATDTDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Polygala senega var. latifolia (IPNI:205849-2) | |||
| root (BTO:0001188) | PubMed (8706138) | ||
| rhizome (BTO:0001181) | PubMed (8706138) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | hypoglycemic agent A drug which lowers the blood glucose level. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| senegin II (CHEBI:9110) has parent hydride oleanane (CHEBI:36481) |
| senegin II (CHEBI:9110) has role hypoglycemic agent (CHEBI:35526) |
| senegin II (CHEBI:9110) has role plant metabolite (CHEBI:76924) |
| senegin II (CHEBI:9110) is a cinnamate ester (CHEBI:36087) |
| senegin II (CHEBI:9110) is a dimethoxybenzene (CHEBI:51681) |
| senegin II (CHEBI:9110) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| senegin II (CHEBI:9110) is a pentacyclic triterpenoid (CHEBI:25872) |
| senegin II (CHEBI:9110) is a triterpenoid saponin (CHEBI:61778) |
| senegin II (CHEBI:9110) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| β-D-galactopyranosyl-(1→4)-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-4-O-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-O-[3β-(β-D-glucopyranosyloxy)-2β,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-β-D-galactopyranose |
| Synonyms | Source |
|---|---|
| Senegin II | KEGG COMPOUND |
| 3-O-β-D-glucopyranosylpresenegenin-28-O-[β-D-galactopyranosyl(1→4)-β-D-xylopyranosyl(1→4)-α-L-rhamnopyranosyl(1→2)-4-3',4'-dimethoxycinnamoyl]-β-D-fucopyranoside | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7333678 | Reaxys |
| CAS:34366-31-9 | KEGG COMPOUND |
| CAS:34366-31-9 | ChemIDplus |
| Citations |
|---|