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CHEBI:69099 - gancaonin I

ChEBI IDCHEBI:69099
ChEBI Namegancaonin I
Stars
DefinitionA member of the class of 1-benzofurans which consists of 1-benzofuran substituted by methoxy groups at positions 4 and 6, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.
Last Modified16 January 2014
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCOc1cc2oc(-c3ccc(O)cc3O)cc2c(OC)c1CC=C(C)C
InChIInChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3
InChIKeyDKVBYQAVNNRVNN-UHFFFAOYSA-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)
gancaonin I (CHEBI:69099) has parent hydride 1-benzofuran (CHEBI:35260)
gancaonin I (CHEBI:69099) has role antibacterial agent (CHEBI:33282)
gancaonin I (CHEBI:69099) has role plant metabolite (CHEBI:76924)
gancaonin I (CHEBI:69099) is a 1-benzofurans (CHEBI:38830)
gancaonin I (CHEBI:69099) is a aromatic ether (CHEBI:35618)
gancaonin I (CHEBI:69099) is a resorcinols (CHEBI:33572)
IUPAC Name 
4-[4,6-dimethoxy-5-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol
Manual XrefsDatabases
LMPK12160046LIPID MAPS
HMDB0038756HMDB
Registry NumbersSources
Reaxys:3630169Reaxys
CAS:126716-36-7ChemIDplus
Citations