elongatol E (CHEBI:65838)

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ChEBI Name	elongatol E

ChEBI ID	CHEBI:65838

Definition	A sesquiterpenoid that is 1,2,3a,4,5,5a,8,9,9a,9b-decahydronaphtho[2,1-b]furan substituted by methyl groups at positions 1, 9 and 9a and hydroxy groups at positions 2 and 5a. Isolated from methylene chloride solubles of the Formosan soft coral Nephthea elongata, it exhibits cytotoxicity against selected cancer cells.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O3

Net Charge

Average Mass

252.34930

Monoisotopic Mass

252.17254

InChI

InChI=1S/C15H24O3/c1-9-5-4-7-15(17)8-6-11-12(14(9,15)3)10(2)13(16)18-11/h4,7,9-13,16-17H,5-6,8H2,1-3H3/t9-,10-,11-,12-,13-,14-,15+/m0/s1

InChIKey

JUSXNWZMQUAENG-XFWXNGHDSA-N

SMILES

[H][C@]12CC[C@]3(O)C=CC[C@H](C)[C@@]3(C)[C@@]1([H])[C@H](C)[C@@H](O)O2

Metabolite of Species	Details
Nephthea elongata (WORMS:288668)	See: PubMed

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

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	elongatol E (CHEBI:65838) has role antineoplastic agent (CHEBI:35610) elongatol E (CHEBI:65838) has role coral metabolite (CHEBI:76498) elongatol E (CHEBI:65838) is a cyclic ether (CHEBI:37407) elongatol E (CHEBI:65838) is a diol (CHEBI:23824) elongatol E (CHEBI:65838) is a organic heterotricyclic compound (CHEBI:26979) elongatol E (CHEBI:65838) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

(1S,2S,3aS,5aS,9S,9aS,9bR)-1,9,9a-trimethyl-1,2,4,5,8,9,9a,9b-octahydronaphtho[2,1-b]furan-2,5a(3aH)-diol

Synonym	Source
lemnal-1(2)-en-10α,12β-diol	ChEBI

Registry Number	Type	Source
11101575	Reaxys Registry Number	Reaxys

Citation	Type	Source
17473464	PubMed citation	Europe PMC

Last Modified

27 November 2013