CHEBI:66160 - samaderine C

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ChEBI Name samaderine C
ChEBI ID CHEBI:66160
Definition A quassinoid isolated from Quassia indica and has been shown to exhibit antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5855401, ZINC000005854633
Download Molfile XML SDF
Formula C19H24O7
Net Charge 0
Average Mass 364.38970
Monoisotopic Mass 364.15220
InChI InChI=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
InChIKey PDGZDUYWUXJXRO-ANPVQLFHSA-N
SMILES [H][C@@]12OC(=O)[C@@]3([H])[C@]1(C)OC[C@]31C(=O)C[C@@]3([H])C(C)=C[C@H](O)[C@@H](O)[C@]3(C)[C@@]1([H])[C@H]2O
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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
6667268 Reaxys Registry Number Reaxys
Citations Types Sources
23302065 PubMed citation Europe PMC
8945767 PubMed citation Europe PMC
Last Modified
24 April 2013