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CHEBI:67567 - minabeolide 2

ChEBI IDCHEBI:67567
ChEBI Nameminabeolide 2
Stars
DefinitionA withanolide that is (22R)-22,26-epoxyergosta-1,4,24-triene substituted by oxo groups at positions 3 and 26 and an acetoxy group at position 18. Isolated from Paraminabea acronocephala, it exhibits anti-inflammatory activity.
Last Modified30 January 2014
DownloadsMolfile
FormulaC30H40O5
Net Charge0
Average Mass480.645
Monoisotopic Mass480.28757
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@@]1(COC(C)=O)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@H]1CC(C)=C(C)C(=O)O1
InChIInChI=1S/C30H40O5/c1-17-14-27(35-28(33)18(17)2)19(3)24-8-9-26-23-7-6-21-15-22(32)10-12-29(21,5)25(23)11-13-30(24,26)16-34-20(4)31/h10,12,15,19,23-27H,6-9,11,13-14,16H2,1-5H3/t19-,23+,24+,25-,26-,27+,29-,30-/m0/s1
InChIKeyFGHNAYQOKIGUIZ-OYMMUSFMSA-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 2 (CHEBI:67567) has role anti-inflammatory agent (CHEBI:67079)
minabeolide 2 (CHEBI:67567) has role coral metabolite (CHEBI:76498)
minabeolide 2 (CHEBI:67567) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
minabeolide 2 (CHEBI:67567) is a acetate ester (CHEBI:47622)
minabeolide 2 (CHEBI:67567) is a ergostanoid (CHEBI:50403)
minabeolide 2 (CHEBI:67567) is a organic heterotetracyclic compound (CHEBI:38163)
minabeolide 2 (CHEBI:67567) is a withanolide (CHEBI:74716)
minabeolide 2 (CHEBI:67567) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(22R)-3,26-dioxo-22,26-epoxyergosta-1,4,24-trien-18-yl acetate
Synonyms  Source
3-oxo-18-acetoxywitha-1,4,24-trienolideChEBI
minabeolide-2ChEBI
Registry NumbersSources
Reaxys:21534307Reaxys
Citations