Tricin 7-glucuronoside
Basic information
- CAS
32769-02-1- Standard SMILES
COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc(OC)c1O- InChIKey
HJWFFBNADKDQPV-UHFFFAOYSA-N- Molecular formula
- C23H22O13
- Average molar mass
- 506.4 g/mol
- Monoisotopic mass
- 506.10604075
Overview
See also: Tricin 7-O-glucuronide (annotation moved to).
Names & identifiers
- Preferred name
- Tricin 7-glucuronoside
- IUPAC
- 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
- English name
- 5-Hydroxy-7-(β-D-glucopyranuronosyloxy)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one
- Molecular formula
- C23H22O13
- Molecular weight
- 506.41
Names & synonyms
Tricin 7-glucuronideTricin 7-glucuronoside5-Hydroxy-7-(beta-D-glucopyranuronosyloxy)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-oneFlavone base + 3O, 2MeO, O-HexATricin 7-O-glucuronide4',5-Dihydroxy-3',5'-dimethoxyflavon-7-yl β-D-glucopyranosiduronic acid5-Hydroxy-7-(β-D-glucopyranuronosyloxy)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-oneβ-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl
Database identifiers
- CAS
32769-02-1- PubChem CID
- 74977751
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 834
Experimental & physicochemical properties
LogP2.74
Melting Point1.5 °C
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 866.6 · 866.6±65.0 °C(Predicted)
- Density
- 1.66 · 1.660±0.06 g/cm3(Predicted)
- pka
- 2.73 · 2.73±0.70(Predicted)
- form
- Solid
- color
- Light yellow to yellow
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesTricin 7-O-glucuronide is an Alfalfa (Medicago sativa L.) flavonoid[1].
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Compound notes
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