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CHEBI:66705 - 4-methoxymagnaldehyde B

ChEBI IDCHEBI:66705
ChEBI Name4-methoxymagnaldehyde B
Stars
DefinitionA lignan that consists of cinnamaldehyde substituted by a methoxy group at position 2 and a 4-allylphenolic group at position 5. Isolated from Magnolia obovata, it exhibits antineoplastic activity.
Last Modified24 April 2013
DownloadsMolfile
FormulaC19H18O3
Net Charge0
Average Mass294.350
Monoisotopic Mass294.12559
SMILESC=CCc1ccc(O)c(-c2ccc(OC)c(/C=C/C=O)c2)c1
InChIInChI=1S/C19H18O3/c1-3-5-14-7-9-18(21)17(12-14)15-8-10-19(22-2)16(13-15)6-4-11-20/h3-4,6-13,21H,1,5H2,2H3/b6-4+
InChIKeyPDSJHKVGVLTIBI-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Magnolia obovata (ncbitaxon:349509) stem (BTO:0001300) PubMed (18175990) Previous component: stem bark;
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)
4-methoxymagnaldehyde B (CHEBI:66705) has functional parent (E)-cinnamaldehyde (CHEBI:16731)
4-methoxymagnaldehyde B (CHEBI:66705) has role antineoplastic agent (CHEBI:35610)
4-methoxymagnaldehyde B (CHEBI:66705) has role metabolite (CHEBI:25212)
4-methoxymagnaldehyde B (CHEBI:66705) is a enal (CHEBI:51688)
4-methoxymagnaldehyde B (CHEBI:66705) is a hydroxybiphenyls (CHEBI:24681)
4-methoxymagnaldehyde B (CHEBI:66705) is a lignan (CHEBI:25036)
4-methoxymagnaldehyde B (CHEBI:66705) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
(2E)-3-[2'-hydroxy-4-methoxy-5'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enal
Synonyms  Source
5'-allyl-2'-hydroxyphenyl-4-methoxy-3-cinnamic aldehydeChEBI
(2E)-3-(5'-allyl-2'-hydroxy-4-methoxybiphenyl-3-yl)acrylaldehydeIUPAC
Citations