Curcumin sulfate
PubChem CID: 66645351
Connections displayed (default: 10).
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| Compound Synonyms | Curcumin sulfate, Curcumin sulphate, Curcumin monosulfate, 339286-19-0, UNII-160DHE331M, 160DHE331M, 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(3-methoxy-4-(sulfooxy)phenyl)-, (1E,6E)-, 4-((1E,4Z,6E)-5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-3-oxohepta-1,4,6-trien-1-yl)-2-methoxyphenyl hydrogen sulfate, DTXSID10893526, [4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] hydrogen sulfate, (4-((1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl)-2-methoxyphenyl)oxidanesulfonic acid, {4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenyl}oxidanesulfonic acid, SCHEMBL290796, CHEBI:189746, DTXCID001323548, DB14635, Q27251759, [4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] hydrogen sulate, 4-((1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl)-2-methoxyphenyl hydrogen sulfate |
|---|---|
| Topological Polar Surface Area | 145.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | NEJVQQBBTRFOHB-FCXRPNKRSA-N |
| Rotatable Bond Count | 10.0 |
| Heavy Atom Count | 31.0 |
| Compound Name | Curcumin sulfate |
| Exact Mass | 448.083 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 448.083 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 768.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 448.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] hydrogen sulfate |
| Total Atom Stereocenter Count | 0.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C21H20O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h3-12,24H,13H2,1-2H3,(H,25,26,27)/b7-3+,8-4+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)OS(=O)(=O)O)OC)O |
| Xlogp | 2.6 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C21H20O9S |
No direct connections found for this phytochemical.