RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136794
RefMet nameTetrahydropalmatine
Systematic name(13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline
SynonymsPubChem Synonyms
Exact mass355.178358 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC21H25NO4View other entries in RefMet with this formula
Molecular descriptors
Molfile50546 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
/t17-/m0/s1
InChIKeyAEQDJSLRWYMAQI-KRWDZBQOSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1ccc2C[C@H]3c4cc(c(cc4CCN3Cc2c1OC)OC)OC
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassTyrosine alkaloids
Sub ClassProtoberberine alkaloids
Distribution of Tetrahydropalmatine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Tetrahydropalmatine
External Links
Pubchem CID72301
ChEBI ID16563
KEGG IDC02890
MetaCyc IDTETRAHYDROPALMATINE
Spectral data for Tetrahydropalmatine standards
NP-MRD ID(NMR)View NMR spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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