edudiol (CHEBI:69095)

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ChEBI Name	edudiol

ChEBI ID	CHEBI:69095

Definition	A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 1 and a prenyl 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/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,15,21-23H,6,10H2,1-3H3/t15-,21+/m0/s1

InChIKey

HCBAFFVITJAXJE-YCRPNKLZSA-N

SMILES

COc1c(CC=C(C)C)c(O)cc2OC[C@@H]3[C@@H](Oc4cc(O)ccc34)c12

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.

ChEBI Ontology
Outgoing	edudiol (CHEBI:69095) has functional parent (6aR,11aR)-pterocarpan (CHEBI:73133) edudiol (CHEBI:69095) has role plant metabolite (CHEBI:76924) edudiol (CHEBI:69095) is a aromatic ether (CHEBI:35618) edudiol (CHEBI:69095) is a polyphenol (CHEBI:26195) edudiol (CHEBI:69095) is a pterocarpans (CHEBI:26377)

IUPAC Name

(6aR,11aR)-1-methoxy-2-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

Synonym	Source
3,9-dihydroxy-1-methoxy-2-prenylpterocarpan	ChEBI

Registry Number	Type	Source
22194631	Reaxys Registry Number	Reaxys

Last Modified

16 January 2014