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CHEBI:66296 - rediocide G

ChEBI IDCHEBI:66296
ChEBI Namerediocide G
Stars
DefinitionA diterpenoid of the class of daphnane-type terpenes. Isolated from Trigonostemon reidioides, it exhibits cytotoxicity against various cancer cell lines.
Last Modified22 April 2013
DownloadsMolfile
FormulaC46H54O13
Net Charge0
Average Mass814.925
Monoisotopic Mass814.35644
SMILES[H][C@]12[C@@H]3O[C@]3(CO)[C@@H](O)[C@]3(O)[C@H]4OC(=O)/C=C/C=C\[C@H](OC(=O)c5ccccc5)C5CCC(CC5)C[C@@](C)(O)[C@@]5(O)[C@@H]1O[C@]1(c6ccccc6)O[C@H]5[C@@H](C)[C@]2(O1)[C@]3([H])C[C@@H]4C
InChIInChI=1S/C46H54O13/c1-25-22-32-43(52)35(25)55-33(48)17-11-10-16-31(54-39(49)29-12-6-4-7-13-29)28-20-18-27(19-21-28)23-41(3,51)45(53)36-26(2)44(32)34(37-42(24-47,56-37)40(43)50)38(45)58-46(57-36,59-44)30-14-8-5-9-15-30/h4-17,25-28,31-32,34-38,40,47,50-53H,18-24H2,1-3H3/b16-10-,17-11+/t25-,26+,27?,28?,31-,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46-/m0/s1
InChIKeyVAEBJJRRTFBWLJ-JKUKCDQCSA-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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
rediocide G (CHEBI:66296) has role antineoplastic agent (CHEBI:35610)
rediocide G (CHEBI:66296) has role metabolite (CHEBI:25212)
rediocide G (CHEBI:66296) is a benzoate ester (CHEBI:36054)
rediocide G (CHEBI:66296) is a diterpenoid (CHEBI:23849)
rediocide G (CHEBI:66296) is a epoxide (CHEBI:32955)
rediocide G (CHEBI:66296) is a ortho ester (CHEBI:71989)
rediocide G (CHEBI:66296) is a terpene lactone (CHEBI:37668)
Registry NumbersSources
Reaxys:20035836Reaxys
Citations