CHEBI:67568 - minabeolide 4

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ChEBI Name minabeolide 4
ChEBI ID CHEBI:67568
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H38O3
Net Charge 0
Average Mass 410.58880
Monoisotopic Mass 410.28210
InChI InChI=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
InChIKey OIROZVSBVQAEPT-HDSKOFFVSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H]1CC[C@H](C)C(=O)O1
Metabolite of Species Details
Paraminabea acronocephala (WORMS:290662) Ethanolic extract of minced frozen bodies See: PubMed
Roles Classification
Biological Role(s): 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.
(via withanolide )
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 δ-lactone (CHEBI:18946)
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)
IUPAC Name
(22R,25S)-22,26-epoxycholesta-1,4-diene-3,26-dione
Synonyms Sources
28-nor-3-oxo-witha-1,4-dienolide ChEBI
minabeolide-4 ChEBI
Registry Number Type Source
21534299 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21425785 PubMed citation Europe PMC
Last Modified
30 January 2014