CHEBI:66162 - samaderine X

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ChEBI Name samaderine X
ChEBI ID CHEBI:66162
Definition A quassinoid isolated from Quassia indica and has been shown to exhibit antimalarial and cytotoxic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H28O9
Net Charge 0
Average Mass 436.45230
Monoisotopic Mass 436.17333
InChI InChI=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
InChIKey PLUUPKMBPOFNDA-JEFQDFFJSA-N
SMILES [H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4([H])[C@@H](OC(C)=O)C(=O)O2
Metabolite of Species Details
Samadera indica (NCBI:txid459147) Found in stem (BTO:0001300). 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.
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.
Application(s): 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.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 δ-lactone (CHEBI:18946)
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 α-hydroxy ketone (CHEBI:2468)
samaderine X (CHEBI:66162) is a secondary alcohol (CHEBI:35681)
samaderine X (CHEBI:66162) is a triol (CHEBI:27136)
IUPAC Name
(1β,11β,12α,15β)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl acetate
Registry Number Type Source
7669489 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
8945767 PubMed citation Europe PMC
Last Modified
06 February 2018