gancaonin I (CHEBI:69099)

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ChEBI Name	gancaonin I

ChEBI ID	CHEBI:69099

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C21H22O5

Net Charge

Average Mass

354.39640

Monoisotopic Mass

354.14672

InChI

InChI=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

InChIKey

DKVBYQAVNNRVNN-UHFFFAOYSA-N

SMILES

COc1cc2oc(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):	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	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

Last Modified

16 January 2014