Basic information
- CAS
142474-52-0- Standard SMILES
CC(C)=CCc1cc(-c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2O)ccc1O- InChIKey
XHCCZOWAHHBCAK-UHFFFAOYSA-N- Molecular formula
- C25H26O6
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.17293854
Overview
Glyasperin A has been reported in Glycyrrhiza aspera, Glycyrrhiza glabra, and Glycyrrhiza inflata with data available.
Names & identifiers
- Preferred name
- Glyasperin A
- IUPAC
- 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
- English name
- GLYASPERINA
- Molecular formula
- C25H26O6
- Molecular weight
- 422.47
Names & synonyms
Glyasperin A3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-oneDTXSID801620543,5,7-Trihydroxy-2-(4-hydroxy-3-(3-methyl-but-2-enyl)-phenyl)-6-((Z)-3-methyl-but-2-enyl)-1-benzopyran-4-one3,5,7-trihydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-6-(3-methylbut-2-enyl)chromen-4-one3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-but-2-enyl)-phenyl]-6-((Z)-3-methyl-but-2-enyl)-1-benzopyran-4-oneRefChem:143762DTXCID2084545142474-52-0GlyasperinA3,5,7-Trihydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-
Show more names
4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6-(3-methyl-2-buten-1-yl)-
orb1682485CHEMBL4643448SCHEMBL24075660SCHEMBL29833229HY-N3956SFA47452LMPK12111985TN4147
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 758
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Boiling point
- 643 · 643.0±55.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder
- pka
- 6.84 · 6.84±0.40(Predicted)
- color
- Yellow
Chemistry & industry
Applications
UsesGlyasperin A is a flavonoid compound isolated from the acetone extract of the leaves of Macaranga gigantea[1].
Suppliers29 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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