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CHEBI:66393 - mimosifolenone

ChEBI IDCHEBI:66393
ChEBI Namemimosifolenone
Stars
DefinitionA cyclic ketone that is cyclohept-2-en-1-one substituted by a hydroxy group at position 5, a methoxy group at position 6 and a 2-phenylethenyl group at position 5 (the 5R,6R stereoisomers). Isolated from the rootwood of Aeschynomene mimosifolia, it exhibits cytotoxic towards human cancer cell lines.
Last Modified10 April 2013
DownloadsMolfile
FormulaC16H18O3
Net Charge0
Average Mass258.317
Monoisotopic Mass258.12559
SMILESCO[C@@H]1CC(=O)C=CC[C@@]1(O)/C=C\c1ccccc1
InChIInChI=1S/C16H18O3/c1-19-15-12-14(17)8-5-10-16(15,18)11-9-13-6-3-2-4-7-13/h2-9,11,15,18H,10,12H2,1H3/b11-9-/t15-,16-/m1/s1
InChIKeyFLWCMQWIFOAMFR-LXJJZASNSA-N
Species of MetaboliteComponentSourceComments
Aeschynomene mimosifolia (IPNI:472828-1) xylem (BTO:0001468) PubMed (8991952) Previous component: root wood;
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.
ChEBI Ontology
Outgoing Relation(s)
mimosifolenone (CHEBI:66393) has role metabolite (CHEBI:25212)
mimosifolenone (CHEBI:66393) is a cyclic ketone (CHEBI:3992)
mimosifolenone (CHEBI:66393) is a enone (CHEBI:51689)
mimosifolenone (CHEBI:66393) is a ether (CHEBI:25698)
mimosifolenone (CHEBI:66393) is a styrenes (CHEBI:26799)
mimosifolenone (CHEBI:66393) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(5R,6R)-5-hydroxy-6-methoxy-5-[(Z)-2-phenylethenyl]cyclohept-2-en-1-one
Citations