flavalin B (CHEBI:68385)

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ChEBI Name	flavalin B

ChEBI ID	CHEBI:68385

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

Download	Molfile XML SDF

Formula

C15H22O3

Net Charge

Average Mass

250.33340

Monoisotopic Mass

250.15689

InChI

InChI=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

InChIKey

FWWRXBATPXVGGD-KXPNOOGQSA-N

SMILES

[H][C@@]12[C@H](C)[C@@H](O)O[C@@]3(CCC1=O)C=CC[C@H](C)[C@@]23C

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.

ChEBI Ontology
Outgoing	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-one	ChEBI

Registry Number	Type	Source
21306700	Reaxys Registry Number	Reaxys

Citation	Type	Source
21204521	PubMed citation	Europe PMC

Last Modified

27 November 2013