Cinnamaldehyde
precursor
Showing entry for Cinnamaldehyde
Identification
- PhytoHub ID
- PHUB001673
- Name
- Cinnamaldehyde
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 132.162
- Monoisotopic Mass
- 132.057514878
- Chemical Formula
- C9H8O
- IUPAC Name
- (2E)-3-phenylprop-2-enal
- InChI Key
- KJPRLNWUNMBNBZ-QPJJXVBHSA-N
- InChI Identifier
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
- SMILES
O=C\C=C\C1=CC=CC=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.09e-01 g/l
- LogS (ALOGPS)
- -2.51
- LogP (ALOGPS)
- 2.00
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 2
- Polar Surface Area
- 17.07
- Refractivity
- 42.1345
- Polarizability
- 14.476668749694724
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.439447314621728
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Cinnamaldehydes
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- Cinnamaldehydes
- Alternative Parent Names
- ["Aldehydes", "Enals", "Hydrocarbon derivatives", "Organic oxides", "Styrenes"]
- External Descriptor Annotations
- ["Monolignols", "cinnamaldehydes"]
- Substituent Names
- ["Aldehyde", "Alpha,beta-unsaturated aldehyde", "Aromatic homomonocyclic compound", "Benzenoid", "Carbonyl group", "Cinnamaldehyde", "Enal", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Styrene"]
Spectra from Phytohub
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available