MiMeDB: Showing metabocard for Î³-Cadinene (MMDBc0019768)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 09:48:04 UTC

Update Date

2024-10-17 06:45:37 UTC

Metabolite ID

MMDBc0019768

Metabolite Identification

Common Name

Î³-Cadinene

Description

(+)-gamma-cadinene, also known as epi-muurolene or D-g-cadinene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on (+)-gamma-cadinene.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
D-gamma-Cadinene	ChEBI
Epi-muurolene	ChEBI
D-g-Cadinene	Generator
D-Γ-cadinene	Generator
(+)-g-Cadinene	Generator
(+)-Γ-cadinene	Generator
gamma-Cadinene	MeSH
gamma-Cadinene, (+)-isomer	MeSH
gamma-Cadinene, (-)-isomer	MeSH
gamma-Cadinene, (+)-gamma(1)-isomer	MeSH
g-Cadinene	Generator, HMDB
γ-cadinene	Generator, HMDB
1,2,3,4,4a,5,6,8a-octahydro-7-Methyl-4-methylene-1-(1-methylethyl)-(1S,4ar,8ar)-naphthalene	HMDB

Molecular Formula

C₁₅H₂₄

Average Mass

204.3511

Monoisotopic Mass

204.187800768

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1

InChI Key

WRHGORWNJGOVQY-KKUMJFAQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Cadinane sesquiterpenoid
Branched unsaturated hydrocarbon
Polycyclic hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

cadinene (CHEBI:63205 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

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

Metabolic Reactions

Not Available

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	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Plant	Essential oil	Mentha spicata	FooDB	31437929

Host Biospecimen and Location

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

External Links

HMDB ID

HMDB0302757

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB006096

KNApSAcK ID

Not Available

Chemspider ID

4937651

KEGG Compound ID

C20173

BioCyc ID

CPD-8787

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6432404

PDB ID

Not Available

ChEBI ID

63205

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Î³-Cadinene (MMDBc0019768)

MOL for #<Metabolite:0x00007fab2c19cf10>

3D MOL for #<Metabolite:0x00007fab2c19cf10>

3D SDF for #<Metabolite:0x00007fab2c19cf10>

3D-SDF for #<Metabolite:0x00007fab2c19cf10>

PDB for #<Metabolite:0x00007fab2c19cf10>

3D PDB for #<Metabolite:0x00007fab2c19cf10>

SMILES for #<Metabolite:0x00007fab2c19cf10>

INCHI for #<Metabolite:0x00007fab2c19cf10>

Structure for #<Metabolite:0x00007fab2c19cf10>

3D Structure for #<Metabolite:0x00007fab2c19cf10>