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CHEBI:66294 - rediocide E

ChEBI IDCHEBI:66294
ChEBI Namerediocide E
Stars
DefinitionA diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon reidioides and has been shown to exhibit insecticidal activity.
Last Modified22 April 2013
DownloadsMolfile
FormulaC43H56O13
Net Charge0
Average Mass780.908
Monoisotopic Mass780.37209
SMILES[H][C@@]12CC[C@H](C[C@@](C)(O)[C@@]3(O)[C@@H]4O[C@]5(c6ccccc6)O[C@H]3[C@@H](C)[C@@]3(O5)[C@@]4([H])[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)[C@H](CC[C@]43[H])OC(=O)/C=C/C=C\[C@H]1OC(=O)CC(C)C)[C@@H]2C
InChIInChI=1S/C43H56O13/c1-22(2)19-32(46)51-28-13-9-10-14-31(45)52-30-18-17-29-40(30,49)37(47)39(21-44)35(53-39)33-36-42(50,38(5,48)20-25-15-16-27(28)23(25)3)34-24(4)41(29,33)56-43(54-34,55-36)26-11-7-6-8-12-26/h6-14,22-25,27-30,33-37,44,47-50H,15-21H2,1-5H3/b13-9-,14-10+/t23-,24+,25+,27-,28+,29+,30-,33-,34-,35-,36+,37+,38+,39-,40+,41-,42-,43-/m0/s1
InChIKeyRTYNTVIIQWLHDN-UVJWMBKFSA-N
Species of MetaboliteComponentSourceComments
Trigonostemon reidioides (IPNI:358060-1) root (BTO:0001188) PubMed (16204992)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
rediocide E (CHEBI:66294) has role insecticide (CHEBI:24852)
rediocide E (CHEBI:66294) has role metabolite (CHEBI:25212)
rediocide E (CHEBI:66294) is a diterpenoid (CHEBI:23849)
rediocide E (CHEBI:66294) is a epoxide (CHEBI:32955)
rediocide E (CHEBI:66294) is a ortho ester (CHEBI:71989)
rediocide E (CHEBI:66294) is a terpene lactone (CHEBI:37668)
Registry NumbersSources
Reaxys:9983176Reaxys
Citations