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CHEBI:67570 - minabeolide 8

ChEBI IDCHEBI:67570
ChEBI Nameminabeolide 8
Stars
DefinitionA withanolide that is (22R,25S)-22,26-epoxycholest-4-en-26-one substituted by an oxo group at position 3 and an α-acetoxy group at position 11. Isolated from Paraminabea acronocephala, it exhibits anti-inflammatory activity.
Last Modified28 November 2013
DownloadsMolfile
FormulaC29H42O5
Net Charge0
Average Mass470.650
Monoisotopic Mass470.30322
SMILES[H][C@@]12CC[C@]([H])([C@H](C)[C@H]3CC[C@H](C)C(=O)O3)[C@@]1(C)C[C@@H](OC(C)=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C29H42O5/c1-16-6-11-24(34-27(16)32)17(2)22-9-10-23-21-8-7-19-14-20(31)12-13-28(19,4)26(21)25(33-18(3)30)15-29(22,23)5/h14,16-17,21-26H,6-13,15H2,1-5H3/t16-,17-,21-,22+,23-,24+,25+,26+,28-,29+/m0/s1
InChIKeyINZKQBNBXNYQRQ-MOFMAXGTSA-N
Species of MetaboliteComponentSourceComments
Paraminabea acronocephala (WORMS:290662) - PubMed (21425785) Ethanolic extract of minced frozen bodies
Roles Classification
Biological Roles:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
minabeolide 8 (CHEBI:67570) has role anti-inflammatory agent (CHEBI:67079)
minabeolide 8 (CHEBI:67570) has role coral metabolite (CHEBI:76498)
minabeolide 8 (CHEBI:67570) is a acetate ester (CHEBI:47622)
minabeolide 8 (CHEBI:67570) is a cholestanoid (CHEBI:50401)
minabeolide 8 (CHEBI:67570) is a enone (CHEBI:51689)
minabeolide 8 (CHEBI:67570) is a organic heterotetracyclic compound (CHEBI:38163)
minabeolide 8 (CHEBI:67570) is a withanolide (CHEBI:74716)
minabeolide 8 (CHEBI:67570) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(11α,22R,25S)-3,26-dioxo-22,26-epoxycholest-4-en-11-yl acetate
Synonyms  Source
28-nor-3-oxo-11α-acetoxy-with-4-enolideChEBI
minabeolide-8ChEBI
Registry NumbersSources
Reaxys:21534308Reaxys
Citations