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CHEBI:65838 - elongatol E

ChEBI IDCHEBI:65838
ChEBI Nameelongatol E
Stars
DefinitionA 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.
Last Modified27 November 2013
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILES[H][C@]12[C@H](C)[C@@H](O)O[C@@]1([H])CC[C@]1(O)C=CC[C@H](C)[C@@]21C
InChIInChI=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
InChIKeyJUSXNWZMQUAENG-XFWXNGHDSA-N
Species of MetaboliteComponentSourceComments
Nephthea elongata (WORMS:288668) - PubMed (17473464)
Roles Classification
Biological Role:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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-diolChEBI
Manual XrefsDatabases
17626997ChemSpider
Registry NumbersSources
Reaxys:11101575Reaxys
Citations