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CHEBI:66469 - senegin III
| Formula | C75H112O35 |
| Net Charge | 0 |
| Average Mass | 1573.686 |
| Monoisotopic Mass | 1572.69842 |
| SMILES | [H][C@@]1(O[C@H]2[C@@H](OC(=O)C=Cc3ccc(OC)cc3)[C@@H](C)O[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)[C@@H]2O[C@]2([H])O[C@@H](C)[C@H](O[C@]3([H])OC[C@@H](O[C@]4([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C75H112O35/c1-30-44(81)48(85)53(90)63(99-30)107-59-58(105-43(80)17-12-33-10-13-34(97-9)14-11-33)32(3)101-67(60(59)108-64-56(93)51(88)57(31(2)100-64)106-62-52(89)47(84)40(28-98-62)104-65-54(91)49(86)45(82)38(26-76)102-65)110-69(96)74-21-20-70(4,5)24-36(74)35-15-16-41-71(6)25-37(79)61(109-66-55(92)50(87)46(83)39(27-77)103-66)73(8,68(94)95)42(71)18-19-72(41,7)75(35,29-78)23-22-74/h10-15,17,30-32,36-42,44-67,76-79,81-93H,16,18-29H2,1-9H3,(H,94,95)/t30-,31-,32+,36-,37-,38+,39+,40+,41+,42+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,67-,71+,72+,73-,74-,75-/m0/s1 |
| InChIKey | QSTBHNPMHXYCII-MAEWDLDLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Polygala senega var. latifolia (IPNI:205849-2) | |||
| rhizome (BTO:0001181) | PubMed (8706138) | ||
| root (BTO:0001188) | 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 III (CHEBI:66469) has functional parent 4-methoxycinnamic acid (CHEBI:48541) |
| senegin III (CHEBI:66469) has parent hydride oleanane (CHEBI:36481) |
| senegin III (CHEBI:66469) has role hypoglycemic agent (CHEBI:35526) |
| senegin III (CHEBI:66469) has role plant metabolite (CHEBI:76924) |
| senegin III (CHEBI:66469) is a cinnamate ester (CHEBI:36087) |
| senegin III (CHEBI:66469) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| senegin III (CHEBI:66469) is a pentacyclic triterpenoid (CHEBI:25872) |
| senegin III (CHEBI:66469) is a triterpenoid saponin (CHEBI:61778) |
| IUPAC Name |
|---|
| 6-deoxy-α-L-mannopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-6-deoxy-1-O-[(2β,3β)-3-(β-D-glucopyranosyloxy)-2,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-4-O-[3-(4-methoxyphenyl)prop-2-enoyl]-β-D-galactopyranose |
| Synonym | Source |
|---|---|
| 3-O-β-D-glucopyranosylpresenegenin-28-O-[2-[β-D-galactopyranosyl(1→4)-β-D-xylopyranosyl(1→4)-α-L-rhamnopyranosyl]]-3-(α-L-rhamnopyranosyl)-4-[4'-methoxycinnamoyl]-β-D-fucopyranoside | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7686141 | Reaxys |
| Citations |
|---|