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CHEBI:66162 - samaderine X

ChEBI IDCHEBI:66162
ChEBI Namesamaderine X
Stars
DefinitionA quassinoid isolated from Quassia indica and has been shown to exhibit antimalarial and cytotoxic activity.
Last Modified6 February 2018
DownloadsMolfile
FormulaC22H28O9
Net Charge0
Average Mass436.457
Monoisotopic Mass436.17333
SMILES[H][C@]12[C@@H](O)[C@H](O)[C@@]3(C)OC[C@]14[C@@]3([H])[C@@H](OC(C)=O)C(=O)O[C@]4([H])C[C@@]1([H])C(C)=CC(=O)[C@@H](O)[C@]21C
InChIInChI=1S/C22H28O9/c1-8-5-11(24)17(26)20(3)10(8)6-12-22-7-29-21(4,18(27)13(25)15(20)22)16(22)14(19(28)31-12)30-9(2)23/h5,10,12-18,25-27H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16-,17+,18-,20-,21-,22+/m0/s1
InChIKeyPLUUPKMBPOFNDA-JEFQDFFJSA-N
Species of MetaboliteComponentSourceComments
Samadera indica (ncbitaxon:459147) stem (BTO:0001300) PubMed (8945767)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
ChEBI Ontology
Outgoing Relation(s)
samaderine X (CHEBI:66162) has role antimalarial (CHEBI:38068)
samaderine X (CHEBI:66162) has role antineoplastic agent (CHEBI:35610)
samaderine X (CHEBI:66162) has role metabolite (CHEBI:25212)
samaderine X (CHEBI:66162) is a acetate ester (CHEBI:47622)
samaderine X (CHEBI:66162) is a cyclic ether (CHEBI:37407)
samaderine X (CHEBI:66162) is a enone (CHEBI:51689)
samaderine X (CHEBI:66162) is a organic heteropentacyclic compound (CHEBI:38164)
samaderine X (CHEBI:66162) is a quassinoid (CHEBI:72485)
samaderine X (CHEBI:66162) is a secondary alcohol (CHEBI:35681)
samaderine X (CHEBI:66162) is a secondary α-hydroxy ketone (CHEBI:2468)
samaderine X (CHEBI:66162) is a triol (CHEBI:27136)
samaderine X (CHEBI:66162) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1β,11β,12α,15β)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl acetate
Registry NumbersSources
Reaxys:7669489Reaxys
Citations