3',4',7-Trimethoxyflavone
Basic information
- CAS
22395-24-0- Standard SMILES
COc1ccc2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1- InChIKey
VSFZYCDPDWSYSS-UHFFFAOYSA-N- Molecular formula
- C18H16O5
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.09977361
Overview
7,3',4'-Trimethoxyflavone has been reported in Myroxylon peruiferum and Acacia fasciculifera with data available.
Names & identifiers
- Preferred name
- 3',4',7-Trimethoxyflavone
- IUPAC
- 2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
- English name
- 3',4',7-Trimethoxyflavone
- Molecular formula
- C18H16O5
- Molecular weight
- 312.32
Names & synonyms
3',4',7-TrimethoxyflavoneRefChem:91041822395-24-02-(3,4-Dimethoxyphenyl)-7-methoxy-4H-chromen-4-one7,3',4'-Trimethoxyflavone2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-oneC18H16O52-(3,4-Dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-7-methoxy-CHEMBL13473MFCD00143003Oprea1_622775
Show more names
TRIMETHOXYFLAVONE,3',4',7-3,4,7-TRIMETHOXYFLAVONE 97%TRIMETHOXYFLAVONE,3',4',7-(RG)
Flavone, 3',4',7-trimethoxy-Oprea1_692463SCHEMBL987112DTXSID50176921VSFZYCDPDWSYSS-UHFFFAOYSA-NBDBM50420210LMPK12110045STL570255
Database identifiers
- CAS
22395-24-0- PubChem CID
- 154227
- DTXSID
DTXSID50176921- ChEMBL
CHEMBL13473- Nikkaji
- J145.249E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Melting point
- 179 · 179-181°C
- storage temp.
- 2 · 2-8°C
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Related reactions
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Compound notes
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