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CHEBI:66292 - rediocide A

ChEBI IDCHEBI:66292
ChEBI Namerediocide A
Stars
DefinitionA diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon reidioides and has been shown to exhibit insecticidal activity.
Secondary ChEBI IDCHEBI:67787
Last Modified22 April 2013
DownloadsMolfile
FormulaC44H58O13
Net Charge0
Average Mass794.935
Monoisotopic Mass794.38774
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](OC(=O)/C=C/C=C\[C@H]1OC(=O)CC(C)C)[C@@H](C)C[C@]43[H])[C@@H]2C
InChIInChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10-,15-11+/t23-,24-,25+,26+,28-,29+,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-/m0/s1
InChIKeyZAVYYYQORHVVFN-GONPTSPMSA-N
Species of MetaboliteComponentSourceComments
Trigonostemon reidioides (IPNI:358060-1) root (BTO:0001188) PubMed (16204992)
Trigonostemon thyrsoideum (ncbitaxon:289660) root (BTO:0001188) PubMed (21192108) Methanolic extract of air-dried and powdered roots
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 A (CHEBI:66292) has role insecticide (CHEBI:24852)
rediocide A (CHEBI:66292) has role metabolite (CHEBI:25212)
rediocide A (CHEBI:66292) is a diterpenoid (CHEBI:23849)
rediocide A (CHEBI:66292) is a epoxide (CHEBI:32955)
rediocide A (CHEBI:66292) is a ortho ester (CHEBI:71989)
rediocide A (CHEBI:66292) is a terpene lactone (CHEBI:37668)
Registry NumbersSources
Reaxys:8671429Reaxys
Citations