RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0013095 | |
|---|---|---|
| RefMet name | Bisdemethoxycurcumin | |
| Systematic name | (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 308.104860 (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 | C19H16O4 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 38028 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+ | |
| InChIKey | PREBVFJICNPEKM-YDWXAUTNSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1cc(ccc1/C=C/C(=O)CC(=O)/C=C/c1ccc(cc1)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Polyketides | |
| Main Class | Linear diarylheptanoids | |
| Sub Class | Curcuminoids | |
| Distribution of Bisdemethoxycurcumin 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 Bisdemethoxycurcumin | |
| External Links | ||
| Pubchem CID | 5315472 | |
| ChEBI ID | 71045 | |
| KEGG ID | C17743 | |
| HMDB ID | HMDB0002114 | |
| Chemspider ID | 4474770 | |
| EPA CompTox | DTXCID40813611 | |
| PhytoHub DB | PHUB001671 | |
| Spectral data for Bisdemethoxycurcumin standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
