CHEBI:69528 - 4-epihederagenin

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ChEBI Name 4-epihederagenin
ChEBI ID CHEBI:69528
Definition A pentacyclic triterpenoid that is the C-4 epimer of hederagenin. It has been isolated from the roots of Rubia yunnanensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O4
Net Charge 0
Average Mass 472.69970
Monoisotopic Mass 472.35526
InChI InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27+,28+,29+,30-/m0/s1
InChIKey PGOYMURMZNDHNS-YGUUOLNVSA-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]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Metabolite of Species Details
Rubia yunnanensis (IPNI:765385-1) Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-epihederagenin (CHEBI:69528) has functional parent oleanolic acid (CHEBI:37659)
4-epihederagenin (CHEBI:69528) has parent hydride oleanane (CHEBI:36481)
4-epihederagenin (CHEBI:69528) has role plant metabolite (CHEBI:76924)
4-epihederagenin (CHEBI:69528) is a dihydroxy monocarboxylic acid (CHEBI:35972)
4-epihederagenin (CHEBI:69528) is a pentacyclic triterpenoid (CHEBI:25872)
4-epihederagenin (CHEBI:69528) is a sapogenin (CHEBI:26606)
IUPAC Name
3β,24-dihydroxyolean-12-en-28-oic acid
Registry Number Type Source
2711856 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20387830 PubMed citation Europe PMC
21973054 PubMed citation Europe PMC
Last Modified
09 January 2014