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CHEBI:69083 - licorisoflavan A

ChEBI IDCHEBI:69083
ChEBI Namelicorisoflavan A
Stars
DefinitionA member of the class of hydroxyisoflavans that is the 7-O-methyl derivative of licoricidin. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity.
Last Modified16 January 2014
DownloadsMolfile
FormulaC27H34O5
Net Charge0
Average Mass438.564
Monoisotopic Mass438.24062
SMILES[H][C@@]1(c2ccc(O)c(CC=C(C)C)c2O)COc2cc(OC)c(CC=C(C)C)c(OC)c2C1
InChIInChI=1S/C27H34O5/c1-16(2)7-9-20-23(28)12-11-19(26(20)29)18-13-22-25(32-15-18)14-24(30-5)21(27(22)31-6)10-8-17(3)4/h7-8,11-12,14,18,28-29H,9-10,13,15H2,1-6H3/t18-/m0/s1
InChIKeyGDAAEAXMNLVRCZ-SFHVURJKSA-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 Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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)
licorisoflavan A (CHEBI:69083) has functional parent licoricidin (CHEBI:69082)
licorisoflavan A (CHEBI:69083) has role antibacterial agent (CHEBI:33282)
licorisoflavan A (CHEBI:69083) has role plant metabolite (CHEBI:76924)
licorisoflavan A (CHEBI:69083) is a aromatic ether (CHEBI:35618)
licorisoflavan A (CHEBI:69083) is a hydroxyisoflavans (CHEBI:76250)
licorisoflavan A (CHEBI:69083) 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]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
Synonyms  Source
(+)-2',4'-dihydroxy-5,7-dimethoxy-6,3'-diprenylisoflavanLIPID MAPS
7-O-methyllicoricidinChEBI
5-O-methyllicoricidinChemIDplus
Manual XrefsDatabases
LMPK12080046LIPID MAPS
HMDB0034184HMDB
Registry NumbersSources
Reaxys:5461708Reaxys
CAS:129314-37-0ChemIDplus
Citations