Tricin 7-glucuronoside
PubChem CID: 74977751
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| Compound Synonyms | 5-Hydroxy-7-(beta-D-glucopyranuronosyloxy)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one, Tricin 7-glucuronoside, Flavone base + 3O, 2MeO, O-HexA |
|---|---|
| Topological Polar Surface Area | 202.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 36.0 |
| Description | Isolated from alfalfa (Medicago sativa). Tricin 7-glucuronoside is found in alfalfa and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 834.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 1.1 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C23H22O13 |
| Inchi Key | HJWFFBNADKDQPV-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| State | Liquid |
| Synonyms | Tricin 7-glucuronide, Tricin 7-glucuronoside, 3,4,5-Trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylate |
| Compound Name | Tricin 7-glucuronoside |
| Kingdom | Organic compounds |
| Exact Mass | 506.106 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 506.106 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 506.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C23H22O13/c1-32-14-3-8(4-15(33-2)17(14)26)12-7-11(25)16-10(24)5-9(6-13(16)35-12)34-23-20(29)18(27)19(28)21(36-23)22(30)31/h3-7,18-21,23-24,26-29H,1-2H3,(H,30,31) |
| Smiles | COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid-7-O-glucuronides |
- 1. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:fooddb_chem_all