samaderine Y (CHEBI:66163)

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CHEBI:66163 - samaderine Y

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ChEBI ID	CHEBI:66163
ChEBI Name	samaderine Y
Stars
Definition	A quassinoid isolated from Ailanthus malabarica and Quassia indica and has been shown to exhibit cytotoxic activity.
Last Modified	6 February 2018
Downloads	Molfile

Formula	C20H26O7
Net Charge	0
Average Mass	378.421
Monoisotopic Mass	378.16785
SMILES	[H][C@]12CC(=O)O[C@]3([H])C[C@@]4([H])C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@@]4([H])[C@@H](O)[C@H](O)[C@@]1(C)OC[C@]243
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

Species of Metabolite	Component	Source	Comments
Ailanthus malabarica (IPNI:813542-1)	-	DOI (10.1016/0031-9422(94)85104-2)
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 Y (CHEBI:66163) has role antineoplastic agent (CHEBI:35610)
	samaderine Y (CHEBI:66163) has role metabolite (CHEBI:25212)
	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 alcohol (CHEBI:35681)
	samaderine Y (CHEBI:66163) is a secondary α-hydroxy ketone (CHEBI:2468)
	samaderine Y (CHEBI:66163) is a triol (CHEBI:27136)
	samaderine Y (CHEBI:66163) is a δ-lactone (CHEBI:18946)

IUPAC Name
(1β,11β,12α)-1,11,12-trihydroxy-13,20-epoxypicras-3-ene-2,16-dione

Synonym	Source
(−)-samaderine Y	ChEBI

Registry Numbers	Sources
Reaxys:6939405	Reaxys

Citations