Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:06:38 UTC |
---|
Update date | 2019-11-26 03:00:30 UTC |
---|
Primary ID | FDB005326 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | alpha-Curcumene |
---|
Description | alpha-Curcumene, also known as α-curcumene, belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. alpha-Curcumene is possibly neutral. |
---|
CAS Number | 644-30-4 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
a-Curcumene | Generator | Α-curcumene | Generator | (+/-)-alpha-Curcumene | manual | α-curcumene | biospider | 1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene | biospider | 2-Heptene, 2-methyl-6-p-tolyl- | biospider | AR-curcumene | biospider | Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl- | biospider | Curcumene | biospider |
|
---|
Predicted Properties | |
---|
Chemical Formula | C13H18 |
---|
IUPAC name | 1-(hex-5-en-2-yl)-4-methylbenzene |
---|
InChI Identifier | InChI=1S/C13H18/c1-4-5-6-12(3)13-9-7-11(2)8-10-13/h4,7-10,12H,1,5-6H2,2-3H3 |
---|
InChI Key | HAJCPKILGSUXNO-UHFFFAOYSA-N |
---|
Isomeric SMILES | CC(CCC=C)C1=CC=C(C)C=C1 |
---|
Average Molecular Weight | 174.282 |
---|
Monoisotopic Molecular Weight | 174.140850576 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Monoterpenoids |
---|
Direct Parent | Aromatic monoterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Monocyclic monoterpenoid
- Aromatic monoterpenoid
- P-cymene
- Toluene
- Benzenoid
- Monocyclic benzene moiety
- Aromatic hydrocarbon
- Cyclic olefin
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Ontology | No ontology term |
---|
Physico-Chemical Properties - Experimental |
---|
Physico-Chemical Properties - Experimental | Property | Value | Reference |
---|
Physical state | Not Available | |
---|
Physical Description | Not Available | |
---|
Mass Composition | Not Available | |
---|
Melting Point | Not Available | |
---|
Boiling Point | Not Available | |
---|
Experimental Water Solubility | Not Available | |
---|
Experimental logP | Not Available | |
---|
Experimental pKa | Not Available | |
---|
Isoelectric point | Not Available | |
---|
Charge | Not Available | |
---|
Optical Rotation | Not Available | |
---|
Spectroscopic UV Data | Not Available | |
---|
Density | Not Available | |
---|
Refractive Index | Not Available | |
---|
|
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Not Available |
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-1900000000-7b77decc25fba7e466f5 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-057i-5900000000-e94d4ba6885bf71583b4 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0fr6-9500000000-7da5a2a3372666b24041 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0900000000-3cecac5d1bb95a4c789a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0900000000-8ed2dbebceee85a4c670 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0awc-4900000000-e1503e67d3cca9a8507a | 2016-08-03 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | Not Available |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | Not Available |
---|
Pubchem Compound ID | Not Available |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | Not Available |
---|
CRC / DFC (Dictionary of Food Compounds) ID | JXZ20-Y:JXZ20-Y |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | ALPHA-CURCUMENE|AR-CURCUMENE|CURCUMENE |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | 644-30-4 |
---|
GoodScent ID | rw1053941 |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
Food | Content Range | Average | Reference |
---|
Food | | | Reference |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Flavor | Citations |
---|
herb |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
|
|
---|
Files |
---|
MSDS | Not Available |
---|
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).
|
---|