Name
Caffeic acid
CAS
331-39-5
HMDB ID
Synonyms
3,4-Dihydroxybenzeneacrylate
3,4-Dihydroxybenzeneacrylic acid
3,4-Dihydroxycinnamate
3,4-Dihydroxycinnamic acid
Caffeate
Caffeic acid pure
Caffeicacid
cis-Caffeate
cis-Caffeic acid
Molecular formula
C9H8O4
Average molecular weight
180.16
Monoisotopic mass of parent ion
180.0423
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
Caffeic acid
Structure
SMILES
OC(=O)\C=C\C1=CC(O)=C(O)C=C1
Description
Caffeic acid (CAS: 331-39-5) is a polyphenol present in normal human urine positively correlated to coffee consumption and influenced by the dietary intake of diverse types of food (PMID:16870009). Caffeic acid has been found to be a microbial metabolite of Escherichia (PMID: 28396925).
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
225 °C
Boiling Point
Water Solubility
LogP
1.15
SANGSTER (1993)
Biological Properties
Cellular Locations
N/A
Biospecimen Locations
Blood
Feces
Urine
Tissue Locations
Epidermis
Prostate
Platelet
Normal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Blood
Detected and Quantified
0.033 uM
Adult (>18 years old)
Both
Normal
Blood
Detected and Quantified
2.12 +/- 1.547 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
1.943 +/- 1.055 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
3.915 +/- 1.695 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.702 +/- 0.223 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.366 +/- 0.088 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.241 +/- 0.041 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0.428 +/- 0.147 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
2.434 +/- 2.174 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
0-18.887 uM
Adult (>18 years old)
Both
Normal
Blood
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
11.268 +/- 1.388 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
11.490 +/- 3.663 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
11.545 +/- 1.665 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
11.823 +/- 1.776 nmol/g wet feces
Adult (>18 years old)
Both
Normal
Feces
Detected and Quantified
14.987 +/- 13.322 nmol/g wet feces
Not Specified
Not Specified
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
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
3.5 (1.2-22.9) umol/mmol creatinine
Children (1-13 years old)
Both
Normal
Urine
Detected and Quantified
2.1 (0.1-6.1) umol/mmol creatinine
Children (1-13 years old)
Both
Normal
Urine
Detected and Quantified
2.6 (1.2-4.1) umol/mmol creatinine
Adolescent (13-18 years old)
Both
Normal
Urine
Detected and Quantified
0.0065 +/- 0.013 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.019 +/- 0.032 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.046 +/- 0.019 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.026 +/- 0.026 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.13 +/- 0.032 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.026 +/- 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 457
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 457
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 457
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 457
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 457
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 457
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 457
Urine
Detected and Quantified
0.382 +/- 0.065 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.16 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.41 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.317 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.0460-1.410 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.620 +/- 0.240 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected and Quantified
0.760 +/- 0.567 umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Urine
Detected but not Quantified
Adult (>18 years old)
Both
Normal
Abnormal Concentrations
Spectra
Type
Description
View
Predicted GC-MS
splash10-001i-1900000000-6a963e50b910f05b6825
Predicted GC-MS
splash10-00e9-5039000000-d55c6a31e04536d33b58
Predicted GC-MS
Predicted LC-MS/MS
splash10-01q9-0900000000-3f202efcd71f15f33da9
Predicted LC-MS/MS
splash10-01q0-1900000000-c772ffdf277b1e52c37a
Predicted LC-MS/MS
splash10-0kdr-9700000000-5a4b1d97b748046bf13a
Predicted LC-MS/MS
splash10-004i-0900000000-f196cd5c6ab6f34ffec7
Predicted LC-MS/MS
splash10-004i-0900000000-359be86d681a33921515
Predicted LC-MS/MS
splash10-0913-2900000000-8a1b926d906ffae34e16
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available