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
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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 Waiting for Citations Types Sources
23302065 PubMed citation Europe PMC
8945767 PubMed citation Europe PMC
Last Modified
24 April 2013