MiMeDB: Showing metabocard for Zingerone (MMDBc0033732)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 05:00:51 UTC

Update Date

2022-08-31 22:38:08 UTC

MiMeDB ID

MMDBc0033732

Metabolite Identification

Common Name

Zingerone

Description

Zingerone is found in fruits. Reputed pungent principle of ginger (Zingiber officinale). Flavour material used in imitation fruit flavours, ginger beer, ginger ale etc. Also present in cranberry, raspberry and mang

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(0)-Paradol	ChEBI
(4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone	ChEBI
2-(4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone	ChEBI
3-Methoxy-4-hydroxybenzylacetone	ChEBI
4-(3-Methoxy-4-hydroxyphenyl)-2-butanone	ChEBI
4-(3-Methoxy-4-hydroxyphenyl)butan-2-one	ChEBI
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone	ChEBI
4-Hydroxy-3-methoxybenzylacetone	ChEBI
[0]-Paradol	ChEBI
Gingerone	ChEBI
Vanillylacetone	ChEBI
Zingherone	ChEBI
Zingiberone	ChEBI
0 Paradol	MeSH
4-(4-Hydroxy-3-methoxyphenyl)butan-2-one	MeSH
Vanillyl acetone	MeSH
4-(4-Hydroxy-3-methoxy-phenyl)-butan-2-one	HMDB
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone, 9ci, 8ci	HMDB
FEMA 3124	HMDB
[0]Paradol	HMDB

Chemical Formula

C₁₁H₁₄O₃

Average Molecular Weight

194.2271

Monoisotopic Molecular Weight

194.094294314

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

122-48-5

SMILES

Not Available

InChI Identifier

InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3

InChI Key

OJYLAHXKWMRDGS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Ketone
Ether
Organic oxygen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

phenols (CHEBI:68657 )
monomethoxybenzene (CHEBI:68657 )
ketone (CHEBI:68657 )
Zingiber derived compounds (C17497 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

#<MetaboliteProteinLink:0x000055b76bf9ce28>

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Fungi	Ascomycota	1	Human Feces	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details
Plant	Essential oil	Zingiber officinale	FooDB	31437929	details
Plant	Rhizome	Zingiber officinale	FooDB	31437929	details
Plant	Shoot	Origanum onites	FooDB	31437929	details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0032590

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Zingerone

METLIN ID

Not Available

PubChem Compound

31211

PDB ID

Not Available

ChEBI ID

68657

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Kabuto H, Nishizawa M, Tada M, Higashio C, Shishibori T, Kohno M: Zingerone [4-(4-hydroxy-3-methoxyphenyl)-2-butanone] prevents 6-hydroxydopamine-induced dopamine depression in mouse striatum and increases superoxide scavenging activity in serum. Neurochem Res. 2005 Mar;30(3):325-32. doi: 10.1007/s11064-005-2606-3. [PubMed:16018576 ]
Morimoto Y, Shibata Y: Effects of various fragrant ingredients on desmopressin-induced fluid retention in mice. Yakugaku Zasshi. 2010 Jul;130(7):983-7. doi: 10.1248/yakushi.130.983. [PubMed:20606379 ]
Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..

Showing metabocard for Zingerone (MMDBc0033732)

MOL for #<Metabolite:0x000055b76dc4e030>

3D MOL for #<Metabolite:0x000055b76dc4e030>

3D SDF for #<Metabolite:0x000055b76dc4e030>

3D-SDF for #<Metabolite:0x000055b76dc4e030>

PDB for #<Metabolite:0x000055b76dc4e030>

3D PDB for #<Metabolite:0x000055b76dc4e030>

SMILES for #<Metabolite:0x000055b76dc4e030>

INCHI for #<Metabolite:0x000055b76dc4e030>

Structure for #<Metabolite:0x000055b76dc4e030>

3D Structure for #<Metabolite:0x000055b76dc4e030>