5'-Methoxycurcumin
PubChem CID: 10250249
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| Compound Synonyms | 5'-Methoxycurcumin, SCHEMBL14586438, CHEBI:175974, (1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Description | Constituent of Curcuma xanthorrhiza (Java turmeric). 5'-Methoxycurcumin is found in herbs and spices, beverages, and root vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 586.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione |
| Nih Violation | False |
| Class | Diarylheptanoids |
| Xlogp | 3.2 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Linear diarylheptanoids |
| Molecular Formula | C22H22O7 |
| Inchi Key | MQJGAHXKAZGEGI-NSLJXJERSA-N |
| Rotatable Bond Count | 9.0 |
| State | Solid |
| Synonyms | 5'-Methoxycurcumin |
| Compound Name | 5'-Methoxycurcumin |
| Kingdom | Organic compounds |
| Exact Mass | 398.137 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 398.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 398.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C22H22O7/c1-27-19-10-14(6-9-18(19)25)4-7-16(23)13-17(24)8-5-15-11-20(28-2)22(26)21(12-15)29-3/h4-12,25-26H,13H2,1-3H3/b7-4+,8-5+ |
| Smiles | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Curcuminoids |
No direct connections found for this phytochemical.