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CHEBI:67568 - minabeolide 4

Default Structure
ChEBI IDCHEBI:67568
ChEBI Nameminabeolide 4
Stars
DefinitionA withanolide that is (22R,25S)-22,26-epoxycholesta-1,4-dien-26-one substituted by an oxo group at position 3. Isolated from Paraminabea acronocephala,it exhibits anti-inflammatory activity.
Last Modified30 January 2014
DownloadsMolfile
FormulaC27H38O3
Net Charge0
Average Mass410.598
Monoisotopic Mass410.28210
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@H]1CC[C@H](C)C(=O)O1
InChIInChI=1S/C27H38O3/c1-16-5-10-24(30-25(16)29)17(2)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h11,13,15-17,20-24H,5-10,12,14H2,1-4H3/t16-,17-,20-,21+,22-,23-,24+,26-,27+/m0/s1
InChIKeyOIROZVSBVQAEPT-HDSKOFFVSA-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 4 (CHEBI:67568) has role anti-inflammatory agent (CHEBI:67079)
minabeolide 4 (CHEBI:67568) has role coral metabolite (CHEBI:76498)
minabeolide 4 (CHEBI:67568) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
minabeolide 4 (CHEBI:67568) is a cholestanoid (CHEBI:50401)
minabeolide 4 (CHEBI:67568) is a organic heterotetracyclic compound (CHEBI:38163)
minabeolide 4 (CHEBI:67568) is a withanolide (CHEBI:74716)
minabeolide 4 (CHEBI:67568) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(22R,25S)-22,26-epoxycholesta-1,4-diene-3,26-dione
Synonyms  Source
28-nor-3-oxo-witha-1,4-dienolideChEBI
minabeolide-4ChEBI
Registry NumbersSources
Reaxys:21534299Reaxys
Citations