4-methoxymagnaldehyde B (CHEBI:66705)

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ChEBI Name	4-methoxymagnaldehyde B

ChEBI ID	CHEBI:66705

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C19H18O3

Net Charge

Average Mass

294.34440

Monoisotopic Mass

294.12559

InChI

InChI=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+

InChIKey

PDSJHKVGVLTIBI-GQCTYLIASA-N

SMILES

COc1ccc(cc1\C=C\C=O)-c1cc(CC=C)ccc1O

Metabolite of Species	Details
Magnolia obovata (NCBI:txid349509)	Found in stem (BTO:0001300). Previous component: stem bark; 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.

ChEBI Ontology
Outgoing	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	Sources
(2E)-3-(5'-allyl-2'-hydroxy-4-methoxybiphenyl-3-yl)acrylaldehyde	IUPAC
5'-allyl-2'-hydroxyphenyl-4-methoxy-3-cinnamic aldehyde	ChEBI

Citation	Type	Source
18175990	PubMed citation	Europe PMC

Last Modified

24 April 2013