CHEBI:847 - 2'-O-methylodoratol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2'-O-methylodoratol
ChEBI ID CHEBI:847
ChEBI ASCII Name 2'-O-methylodoratol
Definition A member of the class of dihydrochalcones that is the 2'-O-methyl derivative of odoratol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H20O5
Net Charge 0
Average Mass 316.34840
Monoisotopic Mass 316.131
InChI InChI=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
InChIKey PQWHNGRYDDJGPN-UHFFFAOYSA-N
SMILES COc1ccc(CC(O)C(=O)c2ccc(OC)cc2OC)cc1
Metabolite of Species Details
Lathyrus odoratus (NCBI:txid3859) See: DOI
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 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 α-hydroxy ketone (CHEBI:2468)
2'-O-methylodoratol (CHEBI:847) is a secondary alcohol (CHEBI:35681)
IUPAC Name
1-(2,4-dimethoxyphenyl)-2-hydroxy-3-(4-methoxyphenyl)propan-1-one
Synonyms Sources
Methylodoratol KEGG COMPOUND
O-Methylodoratol LIPID MAPS
Manual Xrefs Databases
C00000981 KNApSAcK
C09774 KEGG COMPOUND
LMPK12120573 LIPID MAPS
View more database links
Registry Numbers Types Sources
5087847 Reaxys Registry Number Reaxys
94943-13-2 CAS Registry Number KEGG COMPOUND
Last Modified
06 February 2018