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CHEBI:68384 - flavalin A

ChEBI IDCHEBI:68384
ChEBI Nameflavalin A
Stars
DefinitionA sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava, and has been shown to exhibit neuroprotective activity.
Last Modified27 November 2013
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILES[H][C@@]12O[C@@]34C=CC[C@H](C)[C@@]3(C)[C@]([H])([C@@H]1C)[C@]([H])(CC4)O2
InChIInChI=1S/C15H22O2/c1-9-5-4-7-15-8-6-11-12(14(9,15)3)10(2)13(16-11)17-15/h4,7,9-13H,5-6,8H2,1-3H3/t9-,10-,11-,12+,13+,14-,15+/m0/s1
InChIKeyGTARSQGFXOXFHP-DJIVWJMOSA-N
Species of MetaboliteComponentSourceComments
Lemnalia flava (WORMS:288046) - PubMed (21204521) EtOAc extract of frozen, minced soft coral
Roles Classification
Biological Role:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
flavalin A (CHEBI:68384) has role anti-inflammatory agent (CHEBI:67079)
flavalin A (CHEBI:68384) has role coral metabolite (CHEBI:76498)
flavalin A (CHEBI:68384) has role neuroprotective agent (CHEBI:63726)
flavalin A (CHEBI:68384) is a cyclic ether (CHEBI:37407)
flavalin A (CHEBI:68384) is a organic heterotetracyclic compound (CHEBI:38163)
flavalin A (CHEBI:68384) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S*,2R*,3aS*,5aS,9S*,9aS*,9bS*)-1,9,9a-trimethyl-1,2,4,5,8,9,9a,9b-octahydro-3aH-2,5a-epoxynaphtho[2,1-b]furan
Synonym  Source
rel-(1S,5S,6S,7S,8S,9R,11S)-5,6,8-trimethyl-10,14-dioxatetracyclo[7.4.1.01,6.07,11]tetradec-2-eneIUPAC
Registry NumbersSources
Reaxys:21306697Reaxys
Citations