CHEBI:69369 - 3β,6β,23-trihydroxyolean-12-en-28-oic acid

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ChEBI Name 3β,6β,23-trihydroxyolean-12-en-28-oic acid
ChEBI ID CHEBI:69369
ChEBI ASCII Name 3beta,6beta,23-trihydroxyolean-12-en-28-oic acid
Definition A pentacyclic triterpenoid that is oleanolic acid substituted by additional hydroxy groups at positions 6 and 23. It has been isolated from Kalopanax pictus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O5
Net Charge 0
Average Mass 488.69910
Monoisotopic Mass 488.35017
InChI InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-21-26(3)10-9-22(33)27(4,17-31)23(26)20(32)16-29(21,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26+,27+,28+,29+,30-/m0/s1
InChIKey XRRLUGUSXUFEDF-NJMQRACMSA-N
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
Metabolite of Species Details
Kalopanax pictus (NCBI:txid46399) Found in stem (BTO:0001300). Previous component: stem bark; Hot MeOH extract of dried stem bark 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.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3β,6β,23-trihydroxyolean-12-en-28-oic acid (CHEBI:69369) has functional parent oleanolic acid (CHEBI:37659)
3β,6β,23-trihydroxyolean-12-en-28-oic acid (CHEBI:69369) has role anti-inflammatory agent (CHEBI:67079)
3β,6β,23-trihydroxyolean-12-en-28-oic acid (CHEBI:69369) has role plant metabolite (CHEBI:76924)
3β,6β,23-trihydroxyolean-12-en-28-oic acid (CHEBI:69369) is a hydroxy monocarboxylic acid (CHEBI:35868)
3β,6β,23-trihydroxyolean-12-en-28-oic acid (CHEBI:69369) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
3β,6β,23-trihydroxyolean-12-en-28-oic acid
Registry Number Type Source
10506694 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21870831 PubMed citation Europe PMC
Last Modified
15 January 2014