Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:08:15 UTC |
---|
Update date | 2020-02-24 19:10:57 UTC |
---|
Primary ID | FDB008781 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | 3-Phenyl-2-propenal |
---|
Description | (Z)-Cinnamaldehyde, also known as cis-cinnamic aldehyde, belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal (Z)-Cinnamaldehyde is a cinnamon and spicy tasting compound (Z)-Cinnamaldehyde has been detected, but not quantified in, ceylon cinnamons (Cinnamomum verum). This could make (Z)-cinnamaldehyde a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on (Z)-Cinnamaldehyde. |
---|
CAS Number | 104-55-2 |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C9H8O |
---|
IUPAC name | (2Z)-3-phenylprop-2-enal |
---|
InChI Identifier | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4- |
---|
InChI Key | KJPRLNWUNMBNBZ-DAXSKMNVSA-N |
---|
Isomeric SMILES | O=C\C=C/C1=CC=CC=C1 |
---|
Average Molecular Weight | 132.1592 |
---|
Monoisotopic Molecular Weight | 132.057514878 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | Cinnamaldehydes |
---|
Sub Class | Not Available |
---|
Direct Parent | Cinnamaldehydes |
---|
Alternative Parents | |
---|
Substituents | - Cinnamaldehyde
- Styrene
- Benzenoid
- Monocyclic benzene moiety
- Enal
- Alpha,beta-unsaturated aldehyde
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Disposition | Route of exposure: Source: Biological location: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | |
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | 3-Phenyl-2-propenal, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0f8c-4900000000-9646371bf99f8b256f77 | Spectrum | Predicted GC-MS | 3-Phenyl-2-propenal, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | 3-Phenyl-2-propenal, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-1900000000-4b1b083c8fdb2a27206b | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00lr-2900000000-eee6045375789bd7b511 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0f6x-9400000000-ffef407879854d06bd7e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0900000000-074611feed644fd89c07 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-0900000000-cbf5bec188b738c514af | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01p6-9600000000-5eb930cf87b199a5f449 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00lu-2900000000-eda42d3592c23cd1e4bd | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-5900000000-5757a78bf103c73ab434 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0fvi-9300000000-8784eab3c86fc7a1a721 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-827b27666b5028c8cf77 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-138b8c24fd394024a31a | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9200000000-93f143b30bbb2b4ff778 | 2021-09-25 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 553117 |
---|
ChEMBL ID | CHEMBL293492 |
---|
KEGG Compound ID | C00903 |
---|
Pubchem Compound ID | 637511 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | 16731 |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB03441 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | DXH04-W:DXH04-W |
---|
EAFUS ID | 641 |
---|
Dr. Duke ID | CINNAMIC-ALDEHYDE|CINNAMALDEHYDE |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | C00002725 |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | rw1002631 |
---|
SuperScent ID | 637511 |
---|
Wikipedia ID | Cinnamaldehyde |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | |
---|
Files |
---|
MSDS | show |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004). — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
|
---|