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CHEBI:66608 - lyratol D

ChEBI IDCHEBI:66608
ChEBI Namelyratol D
Stars
DefinitionA sesquiterpene lactone that is butan-4-olide substituted by geminal methyl groups at position 5 and a 4-hydroxy-2,6-dimethylbenzyl group at position 4. Isolated from Solanum lyratum, it exhibits cytotoxicity against human cancer cell lines.
Last Modified27 March 2013
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESCc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C
InChIInChI=1S/C15H20O3/c1-9-5-12(16)6-10(2)13(9)7-11-8-14(17)18-15(11,3)4/h5-6,11,16H,7-8H2,1-4H3/t11-/m1/s1
InChIKeyJEUPLAJVBQWXMD-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Solanum lyratum (ncbitaxon:230192) whole plant (BTO:0001461) PubMed (19336938)
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)
lyratol D (CHEBI:66608) has role antineoplastic agent (CHEBI:35610)
lyratol D (CHEBI:66608) has role metabolite (CHEBI:25212)
lyratol D (CHEBI:66608) is a butan-4-olide (CHEBI:22950)
lyratol D (CHEBI:66608) is a phenols (CHEBI:33853)
lyratol D (CHEBI:66608) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
(4R)-4-(4-hydroxy-2,6-dimethylbenzyl)-5,5-dimethyldihydrofuran-2(3H)-oneChEBI
Registry NumbersSources
Reaxys:19683899Reaxys
Citations