CHEBI:69084 - glyasperin D

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ChEBI Name glyasperin D
ChEBI ID CHEBI:69084
Definition A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2ʼ and 4ʼ, methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H26O5
Net Charge 0
Average Mass 370.43880
Monoisotopic Mass 370.17802
InChI InChI=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
InChIKey DDMAUIOCNQXFHL-AWEZNQCLSA-N
SMILES COc1cc2OC[C@H](Cc2c(OC)c1CC=C(C)C)c1ccc(O)cc1O
Metabolite of Species Details
Glycyrrhiza uralensis (NCBI:txid74613) Found in root (BTO:0001188). Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-diol ChemIDplus
Registry Numbers Types Sources
142561-10-2 CAS Registry Number ChemIDplus
5360132 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12127165 PubMed citation Europe PMC
22074222 PubMed citation Europe PMC
Last Modified
16 January 2014