Basic information
- CAS
6938-19-8- Standard SMILES
COc1ccc(-c2cc(=O)c3c(OC)c(O)c(OC)cc3o2)cc1- InChIKey
XYHIVQHSXGOAQP-UHFFFAOYSA-N- Molecular formula
- C18H16O6
- Average molar mass
- 328.3 g/mol
- Monoisotopic mass
- 328.09468823
Overview
6-hydroxy-4',5,7-trimethoxyflavone is a trimethoxyflavone that is the 5,7,4'-trimethyl ether derivative of scutellarein. It has a role as a plant metabolite. It is a trimethoxyflavone and a monohydroxyflavone. It is functionally related to a scutellarein.
Names & identifiers
- Preferred name
- 6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
- IUPAC
- 6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
- English name
- 6-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
- Molecular formula
- C18H16O6
- Molecular weight
- 328.32
Names & synonyms
6938-19-86-Hydroxy-5,7,4'-trimethoxyflavone0EV533MB5M6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-oneNSC-53907RefChem:10739846-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one6-Hydroxy-4',5,7-trimethoxyflavone6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-oneNSC 53907UNII-0EV533MB5MNSC53907
Show more names
4H-1-Benzopyran-4-one, 6-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-
CHEMBL77695SCHEMBL10031424CHEBI:79509DTXSID002194735,7,4'-scutellarein trimethyletherLMPK12111170Scutellarein-5,7,4?-trimethyl etherNCI60_004328
Database identifiers
- CAS
6938-19-8- PubChem CID
- 243760
- DTXSID
DTXSID00219473- ChEMBL
CHEMBL77695- ChEBI
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 482
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Melting point
- 219.5 · 219.5-221 °C
- Boiling point
- 556.5 · 556.5±50.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- pka
- 9.01 · 9.01±0.40(Predicted)
- FDA UNII
- 0 EV533MB5M · 0EV533MB5M
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Additional notes
DefinitionChEBI: 6-hydroxy-4',5,7-trimethoxyflavone is a trimethoxyflavone that is the 5,7,4'-trimethyl ether derivative of scutellarein. It has a role as a plant metabolite. It is a monohydroxyflavone and a trimethoxyflavone. It is functionally related to a scutellarein.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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