CHEBI:66293 - rediocide C

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ChEBI Name rediocide C
ChEBI ID CHEBI:66293
Definition A diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon thyrsoideum and has been shown to exhibit acaricidal activity.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:67788
Supplier Information
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Formula C46H54O13
Net Charge 0
Average Mass 814.91320
Monoisotopic Mass 814.35644
InChI InChI=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
InChIKey ZDIWBBJUVBDSOV-JTMXNZPZSA-N
SMILES [H][C@@]12CC[C@H](C[C@@](C)(O)[C@]3(O)[C@H]4O[C@]5(O[C@@H]3[C@]3([H])[C@@H]6O[C@]6(CO)[C@@H](O)[C@]6(O)[C@@H](OC(=O)\C=C\C=C/[C@H]1OC(=O)c1ccccc1)[C@@H](C)C[C@@]6([H])[C@@]3(O5)[C@@H]4C)c1ccccc1)[C@@H]2C
Metabolite of Species Details
Trigonostemon reidioides (IPNI:358060-1) Found in root (BTO:0001188). See: PubMed
Trigonostemon thyrsoideum (NCBI:txid289660) Found in root (BTO:0001188). Methanolic extract of air-dried and powdered roots See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): acaricide
A substance used to destroy pests of the subclass Acari (mites and ticks).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
9983633 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15684528 PubMed citation Europe PMC
16204992 PubMed citation Europe PMC
21192108 PubMed citation Europe PMC
Last Modified
22 April 2013