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CHEBI:66160 - samaderine C

ChEBI IDCHEBI:66160
ChEBI Namesamaderine C
Stars
DefinitionA quassinoid isolated from Quassia indica and has been shown to exhibit antineoplastic activity.
Last Modified24 April 2013
DownloadsMolfile
FormulaC19H24O7
Net Charge0
Average Mass364.394
Monoisotopic Mass364.15220
SMILES[H][C@@]12C(=O)O[C@@]3([H])[C@H](O)[C@@]4([H])[C@@]1(CO[C@@]23C)C(=O)C[C@@]1([H])C(C)=C[C@H](O)[C@@H](O)[C@]41C
InChIInChI=1S/C19H24O7/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/h4,8-9,11-15,20,22-23H,5-6H2,1-3H3/t8-,9-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1
InChIKeyPDGZDUYWUXJXRO-ANPVQLFHSA-N
Species of MetaboliteComponentSourceComments
Samadera indica (ncbitaxon:459147) stem (BTO:0001300) PubMed (8945767)
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)
samaderine C (CHEBI:66160) has role antineoplastic agent (CHEBI:35610)
samaderine C (CHEBI:66160) has role metabolite (CHEBI:25212)
samaderine C (CHEBI:66160) is a bridged compound (CHEBI:35990)
samaderine C (CHEBI:66160) is a cyclic ether (CHEBI:37407)
samaderine C (CHEBI:66160) is a cyclic ketone (CHEBI:3992)
samaderine C (CHEBI:66160) is a lactone (CHEBI:25000)
samaderine C (CHEBI:66160) is a organic heteropentacyclic compound (CHEBI:38164)
samaderine C (CHEBI:66160) is a quassinoid (CHEBI:72485)
samaderine C (CHEBI:66160) is a secondary alcohol (CHEBI:35681)
samaderine C (CHEBI:66160) is a triol (CHEBI:27136)
IUPAC Name 
(1R,2S,5R,5aR,7aS,10S,11S,11aS,11bR,14S)-1,10,11-trihydroxy-8,11a,14-trimethyl-7,7a,10,11,11a,11b-hexahydro-2H-2,5,5a-(methanetriyloxymethano)naphtho[1,2-d]oxepine-4,6(1H,5H)-dione
Registry NumbersSources
Reaxys:6667268Reaxys
Citations