CHEBI:69368 - nipponogenin E

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ChEBI Name nipponogenin E
ChEBI ID CHEBI:69368
Definition A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3, 23 and 29. It has been isolated from the stem bark of 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(17-31)12-14-30(24(34)35)15-13-28(4)19(20(30)16-25)6-7-22-26(2)10-9-23(33)27(3,18-32)21(26)8-11-29(22,28)5/h6,20-23,31-33H,7-18H2,1-5H3,(H,34,35)/t20-,21+,22+,23-,25+,26-,27-,28+,29+,30-/m0/s1
InChIKey LQETVSULLNKTKF-LYABJINESA-N
SMILES C[C@@]1(CO)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
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing nipponogenin E (CHEBI:69368) has parent hydride oleanane (CHEBI:36481)
nipponogenin E (CHEBI:69368) has role metabolite (CHEBI:25212)
nipponogenin E (CHEBI:69368) has role plant metabolite (CHEBI:76924)
nipponogenin E (CHEBI:69368) is a hydroxy monocarboxylic acid (CHEBI:35868)
nipponogenin E (CHEBI:69368) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(3β)-3,23,29-trihydroxyolean-12-en-28-oic acid
Synonym Source
29-hydroxyhederagenin ChEBI
Registry Number Type Source
8744876 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21870831 PubMed citation Europe PMC
23444041 PubMed citation Europe PMC
Last Modified
18 December 2013