CHEBI:9110 - senegin II

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name senegin II
ChEBI ID CHEBI:9110
Definition A triterpenoid saponin isolated from Polygala senega var latifolia and has been shown to exhibit hypoglycemic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:66468
Supplier Information
Download Molfile XML SDF
Formula C70H104O32
Net Charge 0
Average Mass 1457.55560
Monoisotopic Mass 1456.65107
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)/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-PUYVOJRZSA-N
SMILES [H][C@]1(OC[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](OC(=O)C=Cc3ccc(OC)c(OC)c3)[C@@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O)[C@@H]1O
Metabolite of Species Details
Polygala senega var. latifolia (IPNI:205849-2) Found in root (BTO:0001188). See: PubMed
Polygala senega var. latifolia (IPNI:205849-2) Found in rhizome (BTO:0001181). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
(via saponin )
Application(s): hypoglycemic agent
A drug which lowers the blood glucose level.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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)
IUPAC Name
β-D-galactopyranosyl-(1→4)-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-4-O-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-O-[(2β,3β)-3-(β-D-glucopyranosyloxy)-2,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-β-D-galactopyranose
Synonyms Sources
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
Senegin II KEGG COMPOUND
Manual Xrefs Databases
C00003551 KNApSAcK
C08978 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
34366-31-9 CAS Registry Number ChemIDplus
7333678 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10598039 PubMed citation Europe PMC
21042868 PubMed citation Europe PMC
8535417 PubMed citation Europe PMC
8706138 PubMed citation Europe PMC
8850332 PubMed citation Europe PMC
8923811 PubMed citation Europe PMC
9730238 PubMed citation Europe PMC
Last Modified
28 July 2014