odoratol (CHEBI:7729)

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ChEBI Name	odoratol

ChEBI ID	CHEBI:7729

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C17H18O5

Net Charge

Average Mass

302.32180

Monoisotopic Mass

302.11542

InChI

InChI=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

InChIKey

PPOABILDHKLUET-UHFFFAOYSA-N

SMILES

COc1ccc(CC(O)C(=O)c2ccc(OC)cc2O)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.

ChEBI Ontology
Outgoing	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	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'-dimethoxydihydrochalcone	ChEBI

Last Modified

06 February 2018