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CHEBI:66293 - rediocide C

ChEBI IDCHEBI:66293
ChEBI Namerediocide C
Stars
DefinitionA diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon thyrsoideum and has been shown to exhibit acaricidal activity.
Secondary ChEBI IDCHEBI:67788
Last Modified22 April 2013
DownloadsMolfile
FormulaC46H54O13
Net Charge0
Average Mass814.925
Monoisotopic Mass814.35644
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)c1ccccc1)[C@@H](C)C[C@]43[H])[C@@H]2C
InChIInChI=1S/C46H54O13/c1-24-21-32-43(52)35(24)55-33(48)18-12-11-17-31(54-39(49)27-13-7-5-8-14-27)30-20-19-28(25(30)2)22-41(4,51)45(53)36-26(3)44(32)34(37-42(23-47,56-37)40(43)50)38(45)58-46(57-36,59-44)29-15-9-6-10-16-29/h5-18,24-26,28,30-32,34-38,40,47,50-53H,19-23H2,1-4H3/b17-11-,18-12+/t24-,25-,26+,28+,30-,31+,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46-/m0/s1
InChIKeyZDIWBBJUVBDSOV-JTMXNZPZSA-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:
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
ChEBI Ontology
Outgoing Relation(s)
rediocide C (CHEBI:66293) has role acaricide (CHEBI:22153)
rediocide C (CHEBI:66293) has role metabolite (CHEBI:25212)
rediocide C (CHEBI:66293) is a benzoate ester (CHEBI:36054)
rediocide C (CHEBI:66293) is a diterpenoid (CHEBI:23849)
rediocide C (CHEBI:66293) is a epoxide (CHEBI:32955)
rediocide C (CHEBI:66293) is a ortho ester (CHEBI:71989)
rediocide C (CHEBI:66293) is a terpene lactone (CHEBI:37668)
Registry NumbersSources
Reaxys:9983633Reaxys
Citations