Curcumin glucuronide
PubChem CID: 71315012
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| Compound Synonyms | Curcumin glucuronide, 227466-72-0, Curcumin beta-D-glucuronide, Curcumin-beta-D-glucuronide, UNII-BE1PK7RL4M, BE1PK7RL4M, Curcumin beta-O-glucuronide, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenoxy]oxane-2-carboxylic acid, CURCUMIN .BETA.-D-GLUCURONIDE, CURCUMIN .BETA.-O-GLUCURONIDE, (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-((1E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-3-oxohepta-1,4,6-trien-1-yl)-2-methoxyphenoxy)tetrahydro-2H-pyran-2-carboxylic acid, (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-((1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl)-2-methoxyphenoxy)oxane-2-carboxylic acid, 4-((1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl)-2-methoxyphenyl beta-D-glucopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, 4-((1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl)-2-methoxyphenyl, beta-D-Glucopyranosiduronic acid, 4-((1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadienyl)-2-methoxyphenyl, .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1E,6E)-7-(4-HYDROXY-3-METHOXYPHENYL)-3,5-DIOXO-1,6-HEPTADIEN-1-YL)-2-METHOXYPHENYL, .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1E,6E)-7-(4-HYDROXY-3-METHOXYPHENYL)-3,5-DIOXO-1,6-HEPTADIENYL)-2-METHOXYPHENYL, 4-((1E,6E)-7-(4-HYDROXY-3-METHOXYPHENYL)-3,5-DIOXO-1,6-HEPTADIEN-1-YL)-2-METHOXYPHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID, Curcumin b-D-Glucuronide, Curcumin-, A-D-glucuronide, Curcumin ?-D-Glucuronide, Curcumin beta -D-Glucuronide, CHEMBL4065571, SCHEMBL26057781, Curcumin-4-o-beta-d-glucuronide, DTXSID20747384, CHEBI:189745, EX-A7619, DA-52168, DISCONTINUED. Please see C838505., MC172152, MS-30002, HY-138795, CS-0168489, NS00116950, G14562, Q27274613, 4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl beta-DGlucopyranosiduronic Acid, |
|---|---|
| Topological Polar Surface Area | 189.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | BNSAVBGHRVFVNN-XSCLDSQRSA-N |
| Rotatable Bond Count | 11.0 |
| Heavy Atom Count | 39.0 |
| Compound Name | Curcumin glucuronide |
| Exact Mass | 544.158 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 544.158 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 903.0 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 544.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenoxy]oxane-2-carboxylic acid |
| Total Atom Stereocenter Count | 5.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C27H28O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h3-12,22-25,27,30-33H,13H2,1-2H3,(H,34,35)/b7-3+,8-4+/t22-,23-,24+,25-,27+/m0/s1 |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)OC)O |
| Xlogp | 1.6 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C27H28O12 |
No direct connections found for this phytochemical.