CHEBI:8710 - quillaic acid

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ChEBI Name quillaic acid
ChEBI ID CHEBI:8710
Definition A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3 and 16, an oxo group at position 23 and a carboxy group at position 28 (the 3β,16α stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H46O5
Net Charge 0
Average Mass 486.68320
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1
InChIKey MQUFAARYGOUYEV-UAWZMHPWSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(C=O)[C@]3([H])CC[C@@]12C)C(O)=O
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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing quillaic acid (CHEBI:8710) has parent hydride oleanane (CHEBI:36481)
quillaic acid (CHEBI:8710) has role anti-inflammatory agent (CHEBI:67079)
quillaic acid (CHEBI:8710) has role metabolite (CHEBI:25212)
quillaic acid (CHEBI:8710) is a aldehyde (CHEBI:17478)
quillaic acid (CHEBI:8710) is a hydroxy monocarboxylic acid (CHEBI:35868)
quillaic acid (CHEBI:8710) is a pentacyclic triterpenoid (CHEBI:25872)
quillaic acid (CHEBI:8710) is conjugate acid of quillate (CHEBI:167136)
Incoming gypsosaponin A (CHEBI:65992) has functional parent quillaic acid (CHEBI:8710)
quillaic acid α-L-Arap-(1→4)-α-L-Arap-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-fucopyranosyl ester (CHEBI:66290) has functional parent quillaic acid (CHEBI:8710)
quillaic acid 28-β-D-glucoside (CHEBI:167137) has functional parent quillaic acid (CHEBI:8710)
quillate (CHEBI:167136) is conjugate base of quillaic acid (CHEBI:8710)
IUPAC Name
(3β,16α)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid
Synonym Source
Quillaic acid KEGG COMPOUND
Manual Xrefs Databases
C00003546 KNApSAcK
C08972 KEGG COMPOUND
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Registry Numbers Types Sources
3114543 Reaxys Registry Number Reaxys
631-01-6 CAS Registry Number KEGG COMPOUND
631-01-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20951193 PubMed citation Europe PMC
21492174 PubMed citation Europe PMC
31072292 PubMed citation Europe PMC
32601436 PubMed citation Europe PMC
33145015 PubMed citation Europe PMC
Last Modified
27 January 2021