CHEBI:66163 - samaderine Y

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ChEBI Name samaderine Y
ChEBI ID CHEBI:66163
Definition A quassinoid isolated from Ailanthus malabarica and Quassia indica and has been shown to exhibit cytotoxic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H26O7
Net Charge 0
Average Mass 378.41620
Monoisotopic Mass 378.16785
InChI InChI=1S/C20H26O7/c1-8-4-10(21)16(24)18(2)9(8)5-12-20-7-26-19(3,11(20)6-13(22)27-12)17(25)14(23)15(18)20/h4,9,11-12,14-17,23-25H,5-7H2,1-3H3/t9-,11-,12+,14+,15+,16+,17-,18-,19-,20+/m0/s1
InChIKey RIJRPXOHKGHZPR-SEAJDPHJSA-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])CC(=O)O2
Metabolite of Species Details
Ailanthus malabarica (IPNI:813542-1) See: DOI
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 Y (CHEBI:66163) has role antineoplastic agent (CHEBI:35610)
samaderine Y (CHEBI:66163) has role metabolite (CHEBI:25212)
samaderine Y (CHEBI:66163) is a δ-lactone (CHEBI:18946)
samaderine Y (CHEBI:66163) is a cyclic ether (CHEBI:37407)
samaderine Y (CHEBI:66163) is a enone (CHEBI:51689)
samaderine Y (CHEBI:66163) is a organic heteropentacyclic compound (CHEBI:38164)
samaderine Y (CHEBI:66163) is a quassinoid (CHEBI:72485)
samaderine Y (CHEBI:66163) is a secondary α-hydroxy ketone (CHEBI:2468)
samaderine Y (CHEBI:66163) is a secondary alcohol (CHEBI:35681)
samaderine Y (CHEBI:66163) is a triol (CHEBI:27136)
IUPAC Name
(1β,11β,12α)-1,11,12-trihydroxy-13,20-epoxypicras-3-ene-2,16-dione
Synonym Source
(−)-samaderine Y ChEBI
Registry Number Type Source
6939405 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16283683 PubMed citation Europe PMC
16927353 PubMed citation Europe PMC
8945767 PubMed citation Europe PMC
Last Modified
06 February 2018