3',5,5',7-Tetrahydroxy-4',6-dimethoxyflavone
Basic information
- CAS
125537-92-0- Standard SMILES
COc1c(O)cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1O- InChIKey
KPONYCCDEVQZMR-UHFFFAOYSA-N- Molecular formula
- C17H14O8
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.0688674
Overview
3',5,5',7-Tetrahydroxy-4',6-dimethoxyflavone has been reported in Gardenia carinata with data available.
Names & identifiers
- Preferred name
- 3',5,5',7-Tetrahydroxy-4',6-dimethoxyflavone
- IUPAC
- 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
- English name
- 3',5,5',7-Tetrahydroxy-4',6-dimethoxyflavone
- Molecular formula
- C17H14O8
- Molecular weight
- 346.29
Names & synonyms
125537-92-03',5,5',7-Tetrahydroxy-4',6-dimethoxyflavone2-(3,5-DIHYDROXY-4-METHOXYPHENYL)-5,7-DIHYDROXY-6-METHOXYCHROMEN-4-ONEDTXSID50438379RefChem:90264DTXCID003892012-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one2-(3,5-dihydroxy-4-methoxy-phenyl)-5,7-dihydroxy-6-methoxy-chromen-4-one4H-1-Benzopyran-4-one, 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-methoxy-5,7-Dihydroxy-6-methoxy-2-(3,5-dihydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one3,5,5,7-Tetrahydroxy-4,6-dimethoxyflavoneorb1681579
Show more names
7-Tetrahydroxy-4'6-dimethoxyflavone3',5,5',7-TETRAHYDROXY-4',6-DIME
AFA53792MFCD19441031TN5133AKOS015999048FS-102715,7,3',5'-tetrahydroxy-6,4'-dimethoxyflavone2-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Boiling point
- 686.3 · 686.3±55.0 °C(Predicted)
- Density
- 1.566 · 1.566±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.46 · 6.46±0.40(Predicted)
Chemistry & industry
Applications
Uses3',5,5',7-Tetrahydroxy-4',6-dimethoxyflavone is a Flavonoids product that can be isolated from the aerial parts of Artemisia salsoloides[1].
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Related reactions
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Compound notes
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