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CHEBI:66295 - rediocide F

ChEBI IDCHEBI:66295
ChEBI Namerediocide F
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
FormulaC45H52O13
Net Charge0
Average Mass800.898
Monoisotopic Mass800.34079
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)c1ccccc1)[C@@H]2C
InChIInChI=1S/C45H52O13/c1-24-27-18-19-29(24)30(53-38(48)26-12-6-4-7-13-26)16-10-11-17-33(47)54-32-21-20-31-42(32,51)39(49)41(23-46)36(55-41)34-37-44(52,40(3,50)22-27)35-25(2)43(31,34)58-45(56-35,57-37)28-14-8-5-9-15-28/h4-17,24-25,27,29-32,34-37,39,46,49-52H,18-23H2,1-3H3/b16-10-,17-11+/t24-,25+,27+,29-,30+,31+,32-,34-,35-,36-,37+,39+,40+,41-,42+,43-,44-,45-/m0/s1
InChIKeyIXYFWJDPNIHVPG-WLPVKWEMSA-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 F (CHEBI:66295) has role insecticide (CHEBI:24852)
rediocide F (CHEBI:66295) has role metabolite (CHEBI:25212)
rediocide F (CHEBI:66295) is a benzoate ester (CHEBI:36054)
rediocide F (CHEBI:66295) is a diterpenoid (CHEBI:23849)
rediocide F (CHEBI:66295) is a epoxide (CHEBI:32955)
rediocide F (CHEBI:66295) is a ortho ester (CHEBI:71989)
rediocide F (CHEBI:66295) is a terpene lactone (CHEBI:37668)
Registry NumbersSources
Reaxys:10143605Reaxys
Citations