Name
Sinapic acid
CAS
530-59-6
HMDB ID
Synonyms
(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid
(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid
(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
(E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid
3,5-Dimethoxy-4-hydroxycinnamic acid
3-(4-Hydroxy-3,5-dimethoxyphenyl)-(2E)-2-Propenoic acid
3-(4-Hydroxy-3,5-dimethoxyphenyl)-(E)-2-Propenoic acid
3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-Propenoic acid
3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylic acid
4-Hydroxy-3,5-dimethoxy-(E)-Cinnamic acid
4-Hydroxy-3,5-dimethoxycinnamic acid
Sinapate
Sinapic acid
Sinapinate
Sinapinic acid
trans-3,5-Dimethoxy-4-hydroxycinnamic acid
Molecular formula
C11H12O5
Average molecular weight
224.21
Monoisotopic mass of parent ion
224.0685
Verified Purity
98%
Solubility
_slightly soluble (lit.)(lit.) methanol_ water_ soluble (lit.)(lit.) polar organic solvents_ soluble (lit.)(lit.)
Spectra
N/A
Chromatogram
N/A
Find the volume
mg
g/mol
mM
Find the weight
mM
g/mol
mL
Find the concentration
g/mol
mL
mg
(%)
Chloroform
100
80
60
40
20
0
0
20
40
60
80
100
MeOH
(%)
(%)
H2O
100
80
60
40
20
0
0
20
40
60
80
100
MeOH
(%)
(%)
H2O
100
80
60
40
20
0
0
20
40
60
80
100
DMSO
(%)
H2O (pH)
9
8
7
6
5
4
3
Information
Version
5.0
Status
Detected and Quantified
HMDB Name
Sinapic acid
Structure
SMILES
COC1=CC(\C=C\C(O)=O)=CC(OC)=C1O
Description
Sinapic acid, also known as sinapinate, belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Sinapic acid has been detected, but not quantified, in several different foods, such as strawberry guava, purple lavers, common verbena, ryes, and lupines. This could make sinapic acid a potential biomarker for the consumption of these foods. A sinapic acid in which the double bond has trans-configuration.
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
192 °C
Boiling Point
403.41 °C. @ 760.00 mm Hg (est)
The Good Scents Company Information System
Water Solubility
7082.0 mg/L @ 25 °C (est)
The Good Scents Company Information System
LogP
1.286 (est)
The Good Scents Company Information System
Biological Properties
Cellular Locations
Cytoplasm
Extracellular
Biospecimen Locations
Blood
Feces
Urine
Tissue Locations
N/A
Normal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Blood
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Not Specified
Not Specified
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Male
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 464
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 464
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 464
Urine
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Abnormal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Colorectal cancer
Spectra
Type
Description
View
Predicted GC-MS
splash10-05di-1950000000-308e223e0595ec83666c
Predicted GC-MS
splash10-0umi-8196000000-afceb35e7a5f28ec225c
Predicted GC-MS
Predicted LC-MS/MS
splash10-056r-0190000000-6e81a94093485194a43f
Predicted LC-MS/MS
splash10-004i-1960000000-18717b9e874f0901ea68
Predicted LC-MS/MS
splash10-06vj-2900000000-254ee08e710708eb6545
Predicted LC-MS/MS
splash10-00di-0190000000-89ae701e731ef1f24fd7
Predicted LC-MS/MS
splash10-00di-0890000000-74c0bdbe7769b328017a
Predicted LC-MS/MS
splash10-0a4i-1910000000-69bbc48ce24397a342a2
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available