CHEBI:65838 - elongatol E

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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
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Formula C15H24O3
Net Charge 0
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.
View more via ChEBI Ontology
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
Manual Xref Database
17626997 ChemSpider
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Registry Number Type Source
11101575 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17473464 PubMed citation Europe PMC
Last Modified
27 November 2013