Basic information
- CAS
5631-70-9- Standard SMILES
COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1- InChIKey
ZXJJBDHPUHUUHD-UHFFFAOYSA-N- Molecular formula
- C18H16O5
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.09977361
Overview
4',5,7-Trimethoxyflavone is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 5,7,4'-Trimethoxyflavone
- IUPAC
- 5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
- English name
- 4',5,7-Trimethoxyflavone
- Molecular formula
- C18H16O5
- Molecular weight
- 312.32
Names & synonyms
5631-70-95,7,4'-Trimethoxyflavone5,7,4'-Trimethylapigenin4',5,7-Trimethyl-apigeninF50JU8E74UDTXSID10204855RefChem:27945DTXCID40127346802-250-34',5,7-TrimethoxyflavoneApigenin trimethyl etherTrimethylapigenin
Show more names
4',5,7- Trimethoxyflarone5,7,4''-TrimethoxyflavoneApigenin-4',5,7-trimethyl Ether
5,7-Dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-oneTri-O-methylapigeninMFCD000176365,?7,?4'-?TrimethoxyflavoneApigenin 5,7,4'-trimethyl ether4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(4-methoxyphenyl)-5,7-Dimethoxy-2-(4-methoxyphenyl)-4H-1-benzenopyran-4-one
Database identifiers
- CAS
5631-70-9- PubChem CID
- 79730
- DTXSID
DTXSID10204855- ChEMBL
CHEMBL1087720- ChEBI
CHEBI:174981- UNII
- F50JU8E74U
- EC Number
- 802-250-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
SpringerMaterials PropertiesChemical shift
Melting Point156 - 157 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 158 · 158-160°C (dec.)
- Boiling point
- 506.5 · 506.5±50.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- Light yellow to yellow
- InChI
- InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
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
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses4'',5,7-Trimethoxyflavone is significantly effective at inhibiting proliferation of SNU-16 human gastric cancer cells in a concentration dependent manner.
Upstream & downstream products
Downstream products
Suppliers100 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司
Related reactions
2 records
Compound notes
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