6,2',4'-Trimethoxyflavanone
Basic information
- CAS
720675-74-1- Standard SMILES
COc1ccc(C2CC(=O)c3cc(OC)ccc3O2)c(OC)c1- InChIKey
GLQDUOUZVYGIDH-UHFFFAOYSA-N- Molecular formula
- C18H18O5
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.11542367
Names & identifiers
- Preferred name
- 6,2',4'-Trimethoxyflavanone
- IUPAC
- 2-(2,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
- English name
- -Trimethoxyflavone
- Molecular formula
- C18H16O5
- Molecular weight
- 312.32
Names & synonyms
6,2',4'-Trimethoxyflavanone4H-1-Benzopyran-4-one, 2-(2,4-dimethoxyphenyl)-2,3-dihydro-6-methoxy-RefChem:1037212-(2,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one836-841-2720675-74-1GLQDUOUZVYGIDH-UHFFFAOYSA-N2-(2,4-dimethoxyphenyl)-6-methoxychroman-4-oneCHEMBL518997orb3028225DTXSID801372363ST058415
Show more names
-Trimethoxyflavone6,2',4' Trimethoxyflavone,6,2',4'Trimethoxyflavone2-(2,4-dimethoxyphenyl)-6-methoxy-4H-chromen-4-one4H-1-Benzopyran-4-one, 2-(2,4-dimethoxyphenyl)-6-methoxy-
HY-139117T2069076,2 inverted exclamation marka,4 inverted exclamation marka-Trimethoxyflavone
Database identifiers
- CAS
720675-74-1- PubChem CID
- 4045016
- DTXSID
DTXSID801372363- ChEMBL
CHEMBL518997- EC Number
- 836-841-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Boiling point
- 495.211 · 495.211±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- 5 mM · Soluble to 5 mM in DMSO with gentle warming
- form
- Powder
- color
- Yellow to orange
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
DescriptionAryl hydrocarbon receptor antagonist (EC50= 0.9μM). Exhibits no short term agonist activity and no species or promoter dependence.
UsesBiofilm inhibition activity of 6,2',4'-Trimethoxyflavone was studied. Potential therapeutic applications as an antibiofilm agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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