CHEBI:67296 - 7-deacetylgedunin

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ChEBI Name 7-deacetylgedunin
ChEBI ID CHEBI:67296
Definition A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C26H32O6
Net Charge 0
Average Mass 440.52870
Monoisotopic Mass 440.21989
InChI InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,18-20,28H,6,10,12H2,1-5H3/t15-,16+,18-,19+,20-,23-,24+,25+,26-/m1/s1
InChIKey HCEYJYMNIQHPPK-DXTZDJJUSA-N
SMILES CC1(C)[C@@H]2C[C@@H](O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)C=CC1=O
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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Application(s): antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-deacetylgedunin (CHEBI:67296) has functional parent gedunin (CHEBI:65954)
7-deacetylgedunin (CHEBI:67296) has role anti-inflammatory agent (CHEBI:67079)
7-deacetylgedunin (CHEBI:67296) has role antimalarial (CHEBI:38068)
7-deacetylgedunin (CHEBI:67296) has role metabolite (CHEBI:25212)
7-deacetylgedunin (CHEBI:67296) has role plant metabolite (CHEBI:76924)
7-deacetylgedunin (CHEBI:67296) is a δ-lactone (CHEBI:18946)
7-deacetylgedunin (CHEBI:67296) is a cyclic terpene ketone (CHEBI:36130)
7-deacetylgedunin (CHEBI:67296) is a enone (CHEBI:51689)
7-deacetylgedunin (CHEBI:67296) is a epoxide (CHEBI:32955)
7-deacetylgedunin (CHEBI:67296) is a furans (CHEBI:24129)
7-deacetylgedunin (CHEBI:67296) is a limonoid (CHEBI:39434)
7-deacetylgedunin (CHEBI:67296) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-10-(furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydronaphtho[2,1-f]oxireno[d]isochromene-3,8(4H,7aH)-dione
Synonyms Sources
(5α,7α,13α,14β,15β,17aα)-14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-D-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione ChemIDplus
7-deacetoxy-7α-hydroxygedunin ChEBI
deacetylgedunin ChemIDplus
Registry Numbers Types Sources
10314-90-6 CAS Registry Number ChemIDplus
5838176 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
19 November 2013