RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0159436 | |
|---|---|---|
| RefMet name | Tetrahydrocurcumin | |
| Systematic name | 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 372.157290 (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 |
| Formula | C21H24O6 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 38759 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2 H3 | |
| InChIKey | LBTVHXHERHESKG-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | COc1cc(CCC(=O)CC(=O)CCc2ccc(c(c2)OC)O)ccc1O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Polyketides | |
| Main Class | Linear diarylheptanoids | |
| Sub Class | Curcuminoids | |
| Distribution of Tetrahydrocurcumin in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Tetrahydrocurcumin | |
| External Links | ||
| Pubchem CID | 124072 | |
| ChEBI ID | 67263 | |
| HMDB ID | HMDB0005789 | |
| Chemspider ID | 110569 | |
| EPA CompTox | DTXCID40814168 | |
| Spectral data for Tetrahydrocurcumin standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
