CHEBI:69096 - 1-methoxyficifolinol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-methoxyficifolinol
ChEBI ID CHEBI:69096
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 groups at positions 2 and 8. It has been isolated from Glycyrrhiza uralensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB21387988, ZINC000006090922
Download Molfile XML SDF
Formula C26H30O5
Net Charge 0
Average Mass 422.51340
Monoisotopic Mass 422.20932
InChI InChI=1S/C26H30O5/c1-14(2)6-8-16-10-18-19-13-30-23-12-21(28)17(9-7-15(3)4)25(29-5)24(23)26(19)31-22(18)11-20(16)27/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3/t19-,26+/m0/s1
InChIKey WIEKYGJSRGBBTQ-AFMDSPMNSA-N
SMILES COc1c(CC=C(C)C)c(O)cc2OC[C@@H]3[C@@H](Oc4cc(O)c(CC=C(C)C)cc34)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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-methoxyficifolinol (CHEBI:69096) has functional parent (6aR,11aR)-pterocarpan (CHEBI:73133)
1-methoxyficifolinol (CHEBI:69096) has role plant metabolite (CHEBI:76924)
1-methoxyficifolinol (CHEBI:69096) is a aromatic ether (CHEBI:35618)
1-methoxyficifolinol (CHEBI:69096) is a polyphenol (CHEBI:26195)
1-methoxyficifolinol (CHEBI:69096) is a pterocarpans (CHEBI:26377)
IUPAC Name
(6aR,11aR)-1-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Synonyms Sources
(6aR,11aR)-1-methoxy-8-(3-methyl-but-2-enyl)-2-(3-methyl-but-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol ChEBI
3,9-dihydroxy-1-methoxy-2,8-diprenylpterocarpan LIPID MAPS
Manual Xrefs Databases
HMDB0038109 HMDB
LMPK12070096 LIPID MAPS
View more database links
Registry Number Type Source
3635997 Reaxys Registry Number Reaxys
Citation Type Source
22074222 PubMed citation Europe PMC
Last Modified
16 January 2014