MiMeDB: Showing metabocard for Anethole (MMDBc0033593)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:54:58 UTC

Update Date

2022-12-15 22:51:56 UTC

Metabolite ID

MMDBc0033593

Metabolite Identification

Common Name

Anethole

Description

Anethole is a phenylpropene, a type of aromatic compound that occurs widely in natural essential oils. It contributes a large component of the distinctive flavors of anise and fennel (both in the botanical family Apiaceae), anise myrtle (Myrtaceae), liquorice (Fabaceae), and star anise (Illiciaceae). It is responsible for aniseed or spicy-herbal aromas. Closely related to anethole is its double-bond isomer estragole, abundant in tarragon (Asteraceae) and basil (Lamiaceae), that has a flavor reminiscent of anise.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₀H₁₂O

Average Mass

148.205

Monoisotopic Mass

148.088815006

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

104-46-1

SMILES

Not Available

InChI Identifier

InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+

InChI Key

RUVINXPYWBROJD-ONEGZZNKSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Liquid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Feces
Saliva

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Saliva	Detected but not Quantified	Adult (>18 years old)	Not Specified	Normal	HMDB	24421258
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	17314143
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	19167006

External Links

Not Available

General References

Ramirez-Gaona M, Marcu A, Pon A, Guo AC, Sajed T, Wishart NA, Karu N, Djoumbou Feunang Y, Arndt D, Wishart DS: YMDB 2.0: a significantly expanded version of the yeast metabolome database. Nucleic Acids Res. 2017 Jan 4;45(D1):D440-D445. doi: 10.1093/nar/gkw1058. Epub 2016 Nov 28. [PubMed:27899612 ]

Showing metabocard for Anethole (MMDBc0033593)

MOL for #<Metabolite:0x0000560be2aab1f0>

3D MOL for #<Metabolite:0x0000560be2aab1f0>

3D SDF for #<Metabolite:0x0000560be2aab1f0>

3D-SDF for #<Metabolite:0x0000560be2aab1f0>

PDB for #<Metabolite:0x0000560be2aab1f0>

3D PDB for #<Metabolite:0x0000560be2aab1f0>

SMILES for #<Metabolite:0x0000560be2aab1f0>

INCHI for #<Metabolite:0x0000560be2aab1f0>

Structure for #<Metabolite:0x0000560be2aab1f0>

3D Structure for #<Metabolite:0x0000560be2aab1f0>