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CHEBI:847 - 2'-O-methylodoratol

ChEBI IDCHEBI:847
ChEBI Name2'-O-methylodoratol
Stars
ASCII Name2'-O-methylodoratol
DefinitionA member of the class of dihydrochalcones that is the 2'-O-methyl derivative of odoratol.
Last Modified6 February 2018
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESCOc1ccc(CC(O)C(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H20O5/c1-21-13-6-4-12(5-7-13)10-16(19)18(20)15-9-8-14(22-2)11-17(15)23-3/h4-9,11,16,19H,10H2,1-3H3
InChIKeyPQWHNGRYDDJGPN-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)
2'-O-methylodoratol (CHEBI:847) has functional parent odoratol (CHEBI:7729)
2'-O-methylodoratol (CHEBI:847) has role plant metabolite (CHEBI:76924)
2'-O-methylodoratol (CHEBI:847) is a dihydrochalcones (CHEBI:71230)
2'-O-methylodoratol (CHEBI:847) is a dimethoxybenzene (CHEBI:51681)
2'-O-methylodoratol (CHEBI:847) is a secondary alcohol (CHEBI:35681)
2'-O-methylodoratol (CHEBI:847) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
1-(2,4-dimethoxyphenyl)-2-hydroxy-3-(4-methoxyphenyl)propan-1-one
Synonyms  Source
MethylodoratolKEGG COMPOUND
O-MethylodoratolLIPID MAPS
Manual XrefsDatabases
C09774KEGG COMPOUND
C00000981KNApSAcK
LMPK12120573LIPID MAPS
Registry NumbersSources
Reaxys:5087847Reaxys
CAS:94943-13-2KEGG COMPOUND