2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
Basic information
- CAS
19833-25-1- Standard SMILES
COc1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O- InChIKey
AFCDXKGLUDDXCK-NPSMOHFVSA-N- Molecular formula
- C22H22O13
- Average molar mass
- 494.4 g/mol
- Monoisotopic mass
- 494.10604075
Overview
See also: Patulitrin (annotation moved to).
Names & identifiers
- Preferred name
- 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
- IUPAC
- 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- English name
- 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
- Molecular formula
- C22H22O13
- Molecular weight
- 494.4
Names & synonyms
2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4H-1-benzopyran-4-oneEINECS 243-356-42-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneQuercetagetin-6-methyl ether glucosidePatuletin-7-O-glucosideC22H22O13DTXSID70173573XP181633NS000264552-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-L-glucopyranoside2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-onePatulitrin
Show more names
Patuletin 7-glucoside7-[(β-D-Glucopyranosyl)oxy]-3,3',4',5-tetrahydroxy-6-methoxyflavone4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 804
Physicochemical properties
- Melting point
- 261 · 261-263 °C
- Boiling point
- 865 · 865.0±65.0 °C(Predicted)
- Density
- 1.761 · 1.761±0.06 g/cm3(Predicted)
- pka
- 5.9 · 5.90±0.40(Predicted)
Chemistry & industry
Applications
UsesPatulitrin has scavenging effect in the DPPH radical. Patulitrin inhibits soybean lipoxygenase. Patulitrin also has antihypertensive effect. Patulitrin is an antioxidant flavonoid that can be isolated from Anthemis tinctoria[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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