kadsurenin M (CHEBI:132654)

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ChEBI Name	kadsurenin M

ChEBI ID	CHEBI:132654

Definition	A neolignan that is 2,3-dihydro-1-benzofuran carrying 3,4-dimethoxyphenyl, methyl, formyl and methoxy substituents at positions 2, 3, 5 and 7 respectively.

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

Submitter	qingping liu

Supplier Information

Download	Molfile XML SDF

Formula

C19H20O5

Net Charge

Average Mass

328.360

Monoisotopic Mass

328.13107

InChI

InChI=1S/C19H20O5/c1-11-14-7-12(10-20)8-17(23-4)19(14)24-18(11)13-5-6-15(21-2)16(9-13)22-3/h5-11,18H,1-4H3/t11-,18-/m0/s1

InChIKey

XBEUHOWSGYZENI-VOJFVSQTSA-N

SMILES

O1[C@@H]([C@H](C2=C1C(OC)=CC(=C2)C(=O)[H])C)C3=CC(OC)=C(OC)C=C3

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	kadsurenin M (CHEBI:132654) has role plant metabolite (CHEBI:76924) kadsurenin M (CHEBI:132654) is a 1-benzofurans (CHEBI:38830) kadsurenin M (CHEBI:132654) is a arenecarbaldehyde (CHEBI:33855) kadsurenin M (CHEBI:132654) is a dimethoxybenzene (CHEBI:51681) kadsurenin M (CHEBI:132654) is a neolignan (CHEBI:25497) kadsurenin M (CHEBI:132654) is a ring assembly (CHEBI:36820)

IUPAC Name

(2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

Synonym	Source
7S,8S-3,4,3'-Trimethoxy-7'-oxo-nor-8',9'-7.O.4',8,5'-neolignan	ChemIDplus

Last Modified

15 December 2016