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CHEBI:7729 - odoratol

ChEBI IDCHEBI:7729
ChEBI Nameodoratol
Stars
DefinitionA member of the class of dihydrochalcones that is dihydrochalcone substituted by a hydroxy group at position 2', methoxy groups at positions 4 and 4' and a hydroxy group at position α- to the ketonic group.
Last Modified6 February 2018
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESCOc1ccc(CC(O)C(=O)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C17H18O5/c1-21-12-5-3-11(4-6-12)9-16(19)17(20)14-8-7-13(22-2)10-15(14)18/h3-8,10,16,18-19H,9H2,1-2H3
InChIKeyPPOABILDHKLUET-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lathyrus odoratus (ncbitaxon:3859) - DOI (10.1016/S0031-9422(00)80519-1)
Roles Classification
Biological Role:
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)
odoratol (CHEBI:7729) has role plant metabolite (CHEBI:76924)
odoratol (CHEBI:7729) is a dihydrochalcones (CHEBI:71230)
odoratol (CHEBI:7729) is a diol (CHEBI:23824)
odoratol (CHEBI:7729) is a monomethoxybenzene (CHEBI:25235)
odoratol (CHEBI:7729) is a phenols (CHEBI:33853)
odoratol (CHEBI:7729) is a secondary α-hydroxy ketone (CHEBI:2468)
Incoming Relation(s)
2'-O-methylodoratol (CHEBI:847) has functional parent odoratol (CHEBI:7729)
IUPAC Name 
2-hydroxy-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
Synonym  Source
α,2'-dihydroxy-4,4'-dimethoxydihydrochalconeChEBI
Manual XrefsDatabases
C09807KEGG COMPOUND
C00000988KNApSAcK
Registry NumbersSources
Reaxys:5294501Reaxys
CAS:94943-12-1KEGG COMPOUND