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CHEBI:68385 - flavalin B

ChEBI IDCHEBI:68385
ChEBI Nameflavalin B
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
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILES[H][C@@]12C(=O)CC[C@@]3(C=CC[C@H](C)[C@]31C)O[C@H](O)[C@H]2C
InChIInChI=1S/C15H22O3/c1-9-5-4-7-15-8-6-11(16)12(14(9,15)3)10(2)13(17)18-15/h4,7,9-10,12-13,17H,5-6,8H2,1-3H3/t9-,10-,12+,13-,14-,15+/m0/s1
InChIKeyFWWRXBATPXVGGD-KXPNOOGQSA-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).
Application:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
flavalin B (CHEBI:68385) has role coral metabolite (CHEBI:76498)
flavalin B (CHEBI:68385) has role neuroprotective agent (CHEBI:63726)
flavalin B (CHEBI:68385) is a cyclic ether (CHEBI:37407)
flavalin B (CHEBI:68385) is a cyclic ketone (CHEBI:3992)
flavalin B (CHEBI:68385) is a organic heterotricyclic compound (CHEBI:26979)
flavalin B (CHEBI:68385) is a secondary alcohol (CHEBI:35681)
flavalin B (CHEBI:68385) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S*,4aS*,8S*,8aS*,10S*,11S*)-10-hydroxy-8,8a,11-trimethyl-1,3,4,7,8,8a-hexahydro-2H-4a,1-(epoxyethano)naphthalen-2-one
Synonym  Source
rel-(1S,4aS,8S,8aS,10S,11S)-10-hydroxy-8,8a,11-trimethyl-1,3,4,7,8,8a-hexahydro-2H-4a,1-(epoxyethano)naphthalen-2-oneChEBI
Registry NumbersSources
Reaxys:21306700Reaxys
Citations