EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69084 - glyasperin D

ChEBI IDCHEBI:69084
ChEBI Nameglyasperin D
Stars
DefinitionA member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4', methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis.
Last Modified16 January 2014
DownloadsMolfile
FormulaC22H26O5
Net Charge0
Average Mass370.445
Monoisotopic Mass370.17802
SMILES[H][C@@]1(c2ccc(O)cc2O)COc2cc(OC)c(CC=C(C)C)c(OC)c2C1
InChIInChI=1S/C22H26O5/c1-13(2)5-7-17-20(25-3)11-21-18(22(17)26-4)9-14(12-27-21)16-8-6-15(23)10-19(16)24/h5-6,8,10-11,14,23-24H,7,9,12H2,1-4H3/t14-/m0/s1
InChIKeyDDMAUIOCNQXFHL-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) root (BTO:0001188) PubMed (22074222) Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier
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)
glyasperin D (CHEBI:69084) has role plant metabolite (CHEBI:76924)
glyasperin D (CHEBI:69084) is a aromatic ether (CHEBI:35618)
glyasperin D (CHEBI:69084) is a hydroxyisoflavans (CHEBI:76250)
glyasperin D (CHEBI:69084) is a methoxyisoflavan (CHEBI:77002)
IUPAC Name 
4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
Synonym  Source
4-((R)-5,7-dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl)-benzene-1,3-diolChemIDplus
Registry NumbersSources
Reaxys:5360132Reaxys
CAS:142561-10-2ChemIDplus
Citations