Name
3,5-Dimethoxyphenol
CAS
500-99-2
HMDB ID
Synonyms
Molecular formula
C8H10O3
Average molecular weight
154.16
Monoisotopic mass of parent ion
154.063
Verified Purity
>99.99
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
3,5-Dimethoxyphenol
Structure
SMILES
COC1=CC(OC)=CC(O)=C1
Description
3,5-Dimethoxyphenol is a toxin metabolite that can be found in human consuming yew (Taxus baccata) leaves. Autopsy findings of fatal intoxication with yew are nonspecific. A presence of plant residues in the digestive tract can signalize yew intoxication. If yew decoction is consumed, plant residues are not found. In such a case, the intoxication can be signalized by the presence of 3,5-dimethoxyphenol in biological material (PMID: 20942244).
Physical Properties
State
Experimental Properties
Property
Value
Reference
Melting Point
Boiling Point
Water Solubility
LogP
Biological Properties
Cellular Locations
N/A
Biospecimen Locations
Urine
Tissue Locations
N/A
Normal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Urine
Detected and Quantified
0.421 +/- 0.081 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Abnormal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
None available
Spectra
Type
Description
View
Predicted GC-MS
splash10-0udi-0900000000-6ffc61bab3cb0daf06a4
Predicted GC-MS
splash10-03k9-7970000000-5fec4139089a0e2011a5
Predicted GC-MS
Predicted GC-MS
Predicted LC-MS/MS
splash10-0a4i-0900000000-ffd8ef068282d660a5a6
Predicted LC-MS/MS
splash10-0a4i-0900000000-531fc72bb729b51b9353
Predicted LC-MS/MS
splash10-0abc-9800000000-81c47001436a79575010
Predicted LC-MS/MS
splash10-0udi-0900000000-f4547a36e0b6f212d68c
Predicted LC-MS/MS
splash10-0udi-1900000000-90b6b285e82384859fd5
Predicted LC-MS/MS
splash10-0a4i-9600000000-c7ac2ee075cdab19e48d
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available