Name
m-Coumaric acid
CAS
14755-02-3
HMDB ID
Synonyms
(2E)-3-(3-hydroxyphenyl)-2-propenoate
(2E)-3-(3-hydroxyphenyl)-2-propenoic acid
(2E)-3-(3-hydroxyphenyl)acrylic acid
(2E)-3-(3-hydroxyphenyl)prop-2-enoate
(2E)-3-(3-hydroxyphenyl)prop-2-enoic acid
(E)-3-(3-hydroxyphenyl)-2-propenoate
(E)-3-(3-hydroxyphenyl)-2-propenoic acid
3'-Hydroxycinnamate
3'-Hydroxycinnamic acid
3-(3-Hydroxyphenyl)-2-Propenoate
3-(3-Hydroxyphenyl)-2-Propenoic acid
3-(3-Hydroxyphenyl)acrylate
3-(3-Hydroxyphenyl)acrylic acid
3-(3-Hydroxyphenyl)acrylsaeure
3-(3-Hydroxyphenyl)prop-2-enoate
3-(3-Hydroxyphenyl)prop-2-enoic acid
3-Coumarate
3-Coumaric acid
3-Hydroxycinnamate
3-Hydroxycinnamic acid
m-Coumarate
m-Hydroxy-Cinnamate
m-Hydroxy-Cinnamic acid
m-Hydroxycinnamate
m-Hydroxycinnamic acid
trans-3-Coumaric acid
trans-3-Hydroxycinnamate
trans-3-Hydroxycinnamic acid
Molecular formula
C9H8O3
Average molecular weight
164.16
Monoisotopic mass of parent ion
164.0473
Verified Purity
>99.9%
Solubility
N/A
Spectra
Chromatogram
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 but not Quantified
HMDB Name
m-Coumaric acid
Structure
SMILES
OC(=O)\C=C\C1=CC(O)=CC=C1
Description
m-Coumaric acid, also known as 3-coumarate, 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. m-Coumaric acid exists in all living organisms, ranging from bacteria to humans. m-Coumaric acid (CAS: 588-30-7) is a polyphenol metabolite from caffeic acid, formed by the gut microflora. Outside of the human body, m-Coumaric acid is found, on average, in the highest concentration within a few different foods, such as olives, corns, and beers. m-Coumaric acid has also been detected, but not quantified in several different foods, such as carrots, strawberries, grape wines, garden tomato, and bilberries. MCT-mediated absorption of phenolic compounds per se and their colonic metabolites would exert a significant impact on human health (PMID:16870009, 15479001, 15479001). m-Coumaric acid is transported by the monocarboxylic acid transporter (MCT). The amount of this compound in human biofluids is diet-dependant. m-Coumaric acid is detected after the consumption of whole grain.
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
192 - 194 °C
Boiling Point
373.00 to 374.00 °C. @ 760.00 mm Hg (est)
The Good Scents Company Information System
Water Solubility
27090.0 mg/L @ 25 °C (est)
The Good Scents Company Information System
LogP
0.928 (est)
The Good Scents Company Information System
Biological Properties
Cellular Locations
N/A
Biospecimen Locations
Blood
Feces
Urine
Tissue Locations
N/A
Normal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Blood
Expected but not Quantified
Normal
Blood
Detected and Quantified
0.022 +/- 0.009 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.014 +/- 0.006 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.046 +/- 0.012 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.051 +/- 0.017 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.012 +/- 0.006 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.007 +/- 0.002 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.008 +/- 0.002 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.881 +/- 0.878 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0-3.4 uM
Adult (>18 years old)
Both
Normal
Blood
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
2.0103 +/- 0.548 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
2.0712 +/- 0.426 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Not Specified
Not Specified
Normal
Feces
Detected but not Quantified
Not Specified
Both
Normal
Feces
Detected and Quantified
0.201 (0.0305-1.0843) nmol/g wet feces
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.032 +/- 0.059 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.078 +/- 0.085 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.052 +/- 0.065 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.092 +/- 0.092 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.17 +/- 0.15 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.019 +/- 0.013 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.013 +/- 0.0065 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 463
Urine
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.012 +/- 0.003 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
11.192 +/- 7.46 umol/mmol creatinine
Children (1 - 13 years old)
Not Specified
Normal
Urine
Detected and Quantified
0.148 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.251 +/- 0.409 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.270 +/- 0.620 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.360 +/- 0.873 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Abnormal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Urine
Detected and Quantified
18.808 +/- 9.712 umol/mmol creatinine
Children (1 - 13 years old)
Not Specified
Eosinophilic esophagitis
Urine
Detected and Quantified
6.345 +/- 5.041 umol/mmol creatinine
Children (1 - 13 years old)
Not Specified
Gastroesophageal reflux disease
Spectra
Type
Description
View
Predicted GC-MS
splash10-02t9-2900000000-91ffd4c10eaed6a17632
Predicted GC-MS
splash10-00y3-6390000000-f1a30e2fb9cd1fb11341
Predicted GC-MS
Predicted LC-MS/MS
splash10-014j-0900000000-b5ad37fb931b464df7d5
Predicted LC-MS/MS
splash10-014j-1900000000-c66c146ee9509bf8a413
Predicted LC-MS/MS
splash10-0fvi-9700000000-fcc332df0fcb818fe0e0
Predicted LC-MS/MS
splash10-03di-0900000000-408ac0dd815354188750
Predicted LC-MS/MS
splash10-03di-0900000000-146bae2da386ca2d4f1a
Predicted LC-MS/MS
splash10-014m-3900000000-235b38f342376d1c9f90
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available