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

MiMeDB 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

Chemical Formula

C₁₀H₁₂O

Average Molecular Weight

148.205

Monoisotopic Molecular Weight

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

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

Proteins

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

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	details
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	17314143	details
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	19167006	details

External Links

Not Available

References

Synthesis Reference

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:0x000055b76ba8fa48>

3D MOL for #<Metabolite:0x000055b76ba8fa48>

3D SDF for #<Metabolite:0x000055b76ba8fa48>

3D-SDF for #<Metabolite:0x000055b76ba8fa48>

PDB for #<Metabolite:0x000055b76ba8fa48>

3D PDB for #<Metabolite:0x000055b76ba8fa48>

SMILES for #<Metabolite:0x000055b76ba8fa48>

INCHI for #<Metabolite:0x000055b76ba8fa48>

Structure for #<Metabolite:0x000055b76ba8fa48>

3D Structure for #<Metabolite:0x000055b76ba8fa48>