| Common Name |
trans-Cinnamyl alcohol
| Description |
trans-Cinnamyl alcohol is found in bilberry. trans-Cinnamyl alcohol is a constituent of storax and Peruvian balsam, mainly as ester of Cinnamic acid. trans-Cinnamyl alcohol is a flavouring. trans-Cinnamyl alcohol is a stabiliser.trans-Cinnamyl alcohol belongs to the family of Phenylpropenes. These are compounds containing a phenylpropene moeity, which consists of a propene substituent bound to a phenyl group.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29698 (trans-Cinnamyl alcohol)
| Synonyms |
| Value |
Source |
(e)-3-Phenyl-2-propen-1-olChEBI
3-Phenyl-2-propen-1-olChEBI
StyrylcarbinolChEBI
(2E)-3-Phenyl-2-propen-1-olHMDB
(2E)-3-Phenylprop-2-en-1-olHMDB
(e)-Cinnamyl alcoholHMDB
e-Cinnamic alcoholHMDB
e-Cinnamyl alcoholHMDB
| Chemical Formlia |
C9H10O
| Average Molecliar Weight |
134.1751
| Monoisotopic Molecliar Weight |
134.073164942
| IUPAC Name |
(2E)-3-phenylprop-2-en-1-ol
| Traditional Name |
cinnamyl alcohol
| CAS Registry Number |
4407-36-7
| SMILES |
OCC=CC1=CC=CC=C1
| InChI Identifier |
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
| InChI Key |
OOCCDEMITAIZTP-QPJJXVBHSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety.
| Kingdom |
Organic compounds
| Super Class |
Phenylpropanoids and polyketides
| Class |
Cinnamyl alcohols
| Sub Class |
Not Available
| Direct Parent |
Cinnamyl alcohols
| Alternative Parents |
Phenylpropenes
Styrenes
Primary alcohols
Hydrocarbon derivatives
| Substituents |
Cinnamyl alcohol
Phenylpropene
Styrene
Benzenoid
Monocyclic benzene moiety
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
cinnamyl alcohol (CHEBI:33227 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point33 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility2.34 mg/mLALOGPS
logP1.93ALOGPS
logP1.82ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)15.62ChemAxon
pKa (Strongest Basic)-2.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity43.19 m3·mol-1ChemAxon
Polarizability15.41 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000888
| KNApSAcK ID |
C00032375
| Chemspider ID |
21105870
| KEGG Compound ID |
C02394
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29698
| Metagene Link |
HMDB29698
| METLIN ID |
Not Available
| PubChem Compound |
5315892
| PDB ID |
Not Available
| ChEBI ID |
33227
Product: Nobiletin
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 17898087