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CHEBI:67566 - minabeolide 1

ChEBI IDCHEBI:67566
ChEBI Nameminabeolide 1
Stars
DefinitionA withanolide that is (22R)-22,26-epoxyergosta-1,4,24-triene substituted by oxo groups at positions 3 and 26. Isolated from Paraminabea acronocephala, it exhibits antineoplastic and anti-inflammatory activities.
Last Modified30 January 2014
DownloadsMolfile
FormulaC28H38O3
Net Charge0
Average Mass422.609
Monoisotopic Mass422.28210
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)=C(C)C(=O)O1
InChIInChI=1S/C28H38O3/c1-16-14-25(31-26(30)17(16)2)18(3)22-8-9-23-21-7-6-19-15-20(29)10-12-27(19,4)24(21)11-13-28(22,23)5/h10,12,15,18,21-25H,6-9,11,13-14H2,1-5H3/t18-,21-,22+,23-,24-,25+,27-,28+/m0/s1
InChIKeyXNASBJNLSIWJAM-CCSWOSDBSA-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.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
minabeolide 1 (CHEBI:67566) has role anti-inflammatory agent (CHEBI:67079)
minabeolide 1 (CHEBI:67566) has role antineoplastic agent (CHEBI:35610)
minabeolide 1 (CHEBI:67566) has role coral metabolite (CHEBI:76498)
minabeolide 1 (CHEBI:67566) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
minabeolide 1 (CHEBI:67566) is a ergostanoid (CHEBI:50403)
minabeolide 1 (CHEBI:67566) is a organic heterotetracyclic compound (CHEBI:38163)
minabeolide 1 (CHEBI:67566) is a withanolide (CHEBI:74716)
minabeolide 1 (CHEBI:67566) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(22R)-22,26-epoxyergosta-1,4,24-triene-3,26-dione
Synonyms  Source
3-oxo-witha-1,4,24-trienolideChEBI
minabeolide-1ChEBI
Registry NumbersSources
Reaxys:21534300Reaxys
Citations