Alnetin
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Basic information
- CAS
3151-82-4- Standard SMILES
COc1c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc2c1OC- InChIKey
VOLPCZWHFBZDQT-UHFFFAOYSA-N- Molecular formula
- C18H16O6
- Average molar mass
- 328.3 g/mol
- Monoisotopic mass
- 328.09468823
Overview
Alnetin has been reported in Godmania aesculifolia, Ononis angustissima, and other organisms with data available.
Names & identifiers
- Preferred name
- Alnetin
- IUPAC
- 5-hydroxy-6,7,8-trimethoxy-2-phenylchromen-4-one
- English name
- 5-Hydroxy-6,7,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one
- Molecular formula
- C18H16O6
- Molecular weight
- 328.32
Names & synonyms
Alnetin5-Hydroxy-6,7,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one3151-82-42L2Y6EHL5E5-hydroxy-6,7,8-trimethoxyflavone5-Hydroxy-6,7,8-trimethoxy-2-phenyl-4H-chromen-4-one4H-1-Benzopyran-4-one, 5-hydroxy-6,7,8-trimethoxy-2-phenyl-UNII-2L2Y6EHL5ESCHEMBL26112503DTXSID20185409LMPK12111433FLAVONE, 5-HYDROXY-6,7,8-TRIMETHOXY-
Show more names
Q15410228
Database identifiers
- CAS
3151-82-4- PubChem CID
- 73210
- DTXSID
DTXSID20185409- UNII
- 2L2Y6EHL5E
- Nikkaji
- J13.016H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 484
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Boiling point
- 556.6 · 556.6±50.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- pka
- 6.83 · 6.83±0.40(Predicted)
- FDA UNII
- 2 L2Y6EHL5E · 2L2Y6EHL5E
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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