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CHEBI:132654 - kadsurenin M

ChEBI IDCHEBI:132654
ChEBI Namekadsurenin M
Stars
DefinitionA 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.
Last Modified15 December 2016
Submitterliuqingping
DownloadsMolfile
FormulaC19H20O5
Net Charge0
Average Mass328.364
Monoisotopic Mass328.13107
SMILES[H]C(=O)c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1ccc(OC)c(OC)c1)O2
InChIInChI=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
InChIKeyXBEUHOWSGYZENI-VOJFVSQTSA-N
Species of MetaboliteComponentSourceComments
Magnolia ovata (ncbitaxon:152188)
fruit (BTO:0000486) PubMed (23157012)
leaf (BTO:0000713) PubMed (19658431)
Piper kadsura (ncbitaxon:54803) - PubMed (8237383)
Roles Classification
Biological Role:
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 Relation(s)
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'-neolignanChemIDplus
Registry NumbersSources
Reaxys:19936899Reaxys
CAS:150133-00-9ChemIDplus
Citations