Basic information
- CAS
80366-14-9- Standard SMILES
COc1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccccc3)oc12- InChIKey
DIRSNBJJSCNRKL-DRASZATQSA-N- Molecular formula
- C22H22O10
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.12129689
Overview
4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl- has been reported in Andrographis paniculata with data available.
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-
- IUPAC
- 7-hydroxy-8-methoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methox y-2-phenyl-
- Molecular formula
- C22H22O10
- Molecular weight
- 446.4
Names & synonyms
80366-14-94H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-DTXSID802302877-hydroxy-8-methoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one7-hydroxy-8-methoxy-2-phenyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:100679DTXCID80152778Wogonin 5-glucosidewogonin-5-O-glucosewogonin 5-O-beta-D-glucosidewogonin 5-O-beta-D-glucopyranosideLMPK12111321
Show more names
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methox y-2-phenyl-
4H-1-Benzopyran-4-one,5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-7-Hydroxy-8-methoxy-4-oxo-2-phenyl-4H-1-benzopyran-5-yl beta-D-glucopyranoside
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 692
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Boiling point
- 793.4 · 793.4±60.0 °C(Predicted)
- Density
- 1.545 · 1.545±0.06 g/cm3(Predicted)
- pka
- 6.43 · 6.43±0.40(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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