flavalin A (CHEBI:68384)

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ChEBI Name	flavalin A

ChEBI ID	CHEBI:68384

Definition	A sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava, and has been shown to exhibit neuroprotective activity.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ZINC000100091459

Download	Molfile XML SDF

Formula

C15H22O2

Net Charge

Average Mass

234.33400

Monoisotopic Mass

234.16198

InChI

InChI=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

InChIKey

GTARSQGFXOXFHP-DJIVWJMOSA-N

SMILES

[H][C@@]12CC[C@@]34O[C@@]([H])(O1)[C@@H](C)[C@@]2([H])[C@]3(C)[C@@H](C)CC=C4

Metabolite of Species	Details
Lemnalia flava (WORMS:288046)	EtOAc extract of frozen, minced soft coral See: PubMed

Roles Classification
Biological Role(s):	coral metabolite Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).

Application(s):	neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	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[7.4.1.0^1,6.0^7,11]tetradec-2-ene	IUPAC

Registry Number	Type	Source
21306697	Reaxys Registry Number	Reaxys

Citation

Last Modified

27 November 2013