CHEBI:66159 - samaderine B

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ChEBI Name samaderine B
ChEBI ID CHEBI:66159
Definition A quassinoid isolated from Quassia indica and Samadera madagascariensis. It exhibits antimalarial and cytotoxic activities.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H22O7
Net Charge 0
Average Mass 362.37380
Monoisotopic Mass 362.13655
InChI InChI=1S/C19H22O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,11-15,22-23H,5-6H2,1-3H3/t8-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1
InChIKey CVLVYBSPYHCGGU-VQXUUFQGSA-N
SMILES [H][C@@]12OC(=O)[C@@]3([H])[C@]1(C)OC[C@]31C(=O)C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]1([H])[C@H]2O
Metabolite of Species Details
Samadera madagascariensis (IPNI:814072-1) Found in leaf (BTO:0000713). See: PubMed
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 B (CHEBI:66159) has role antimalarial (CHEBI:38068)
samaderine B (CHEBI:66159) has role antineoplastic agent (CHEBI:35610)
samaderine B (CHEBI:66159) has role metabolite (CHEBI:25212)
samaderine B (CHEBI:66159) is a bridged compound (CHEBI:35990)
samaderine B (CHEBI:66159) is a cyclic ether (CHEBI:37407)
samaderine B (CHEBI:66159) is a enone (CHEBI:51689)
samaderine B (CHEBI:66159) is a lactone (CHEBI:25000)
samaderine B (CHEBI:66159) is a organic heteropentacyclic compound (CHEBI:38164)
samaderine B (CHEBI:66159) is a quassinoid (CHEBI:72485)
samaderine B (CHEBI:66159) is a secondary α-hydroxy ketone (CHEBI:2468)
samaderine B (CHEBI:66159) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1R,2S,5R,5aR,7aS,11S,11aS,11bR,14S)-1,11-dihydroxy-8,11a,14-trimethyl-1,7,7a,11,11a,11b-hexahydro-2H-2,5,5a-(methanetriyloxymethano)naphtho[1,2-d]oxepine-4,6,10(5H)-trione
Registry Number Type Source
6667806 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16253298 PubMed citation Europe PMC
8945767 PubMed citation Europe PMC
Last Modified
06 February 2018