CHEBI:67287 - 17-epiazadiradione

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ChEBI Name 17-epiazadiradione
ChEBI ID CHEBI:67287
Definition A limonoid that is the C-17 epimer of azadiradione. It has been isolated from Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H34O5
Net Charge 0
Average Mass 450.56660
Monoisotopic Mass 450.24062
InChI InChI=1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19-,20+,23-,24+,26-,27-,28-/m1/s1
InChIKey KWAMDQVQFVBEAU-ZRCRZKIJSA-N
SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](C(=O)C=C3[C@]12C)c1ccoc1
Metabolite of Species Details
Azadirachta indica (NCBI:txid124943) Found in seed (BTO:0001226). Defatted MeOH extract of seeds See: PubMed
Roles Classification
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 17-epiazadiradione (CHEBI:67287) has role plant metabolite (CHEBI:76924)
17-epiazadiradione (CHEBI:67287) is a acetate ester (CHEBI:47622)
17-epiazadiradione (CHEBI:67287) is a cyclic terpene ketone (CHEBI:36130)
17-epiazadiradione (CHEBI:67287) is a furans (CHEBI:24129)
17-epiazadiradione (CHEBI:67287) is a limonoid (CHEBI:39434)
17-epiazadiradione (CHEBI:67287) is a tetracyclic triterpenoid (CHEBI:26893)
Incoming 17-epi-17-hydroxyazadiradione (CHEBI:67288) has functional parent 17-epiazadiradione (CHEBI:67287)
IUPAC Name
(5α,7α,13α,17β)-17-(furan-3-yl)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate
Registry Number Type Source
5858437 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381696 PubMed citation Europe PMC
Last Modified
09 January 2014