5,6,7,4'-Tetramethoxyflavone

HCID 96118
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Basic information

CAS
1168-42-9
Standard SMILES
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1
InChIKey
URSUMOWUGDXZHU-UHFFFAOYSA-N
Molecular formula
C19H18O6
Average molar mass
342.3 g/mol
Monoisotopic mass
342.1103383

Overview

4',5,6,7-tetramethoxyflavone is a tetramethoxyflavone that is the tetra-O-methyl derivative of scutellarein. It has a role as an antimutagen and a plant metabolite. It is functionally related to a scutellarein.

Names & identifiers

Preferred name
5,6,7,4'-Tetramethoxyflavone
IUPAC
5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
English name
Scutellarein tetramethyl ether
Molecular formula
C19H18O6
Molecular weight
342.34

Names & synonyms

1168-42-94',5,6,7-TetramethoxyflavoneTetramethyl-O-scutellarinTetramethylscutellarein5,6,7,4'-Tetramethoxyflavone5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-oneFlavone, 4',5,6,7-tetramethoxy-NSC-539085,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-2-(4-methoxyphenyl)-DWN851IYG6CHEBI:34357
Show more names
5-METHOXYSALVIGENINMETHOXYSALVIGENIN, 5-TetrametlglscutellareinMETHOXYSALVIGENIN, 5-(RG)
DTXSID60151522RefChem:50886DTXCID4074013Scutellarein tetramethyl etherTetra-O-methylscutellarein5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-oneScutellarein tetramethyletherNSC53908

Database identifiers

CAS
1168-42-9
PubChem CID
96118
DTXSID
DTXSID60151522
ChEMBL
CHEMBL75349
ChEBI
CHEBI:34357
UNII
DWN851IYG6
Nikkaji
J145.242H

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
63.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

Experimental & physicochemical properties

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point166 - 167 °C
Physical DescriptionSolid

Physicochemical properties

Melting point
142 · 142-143°C
Boiling point
525.7 · 525.7±50.0 °C(Predicted)
Density
1.243 · 1.243±0.06 g/cm3(Predicted)
storage temp.
4 °C, · 4°C, protect from light
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Safety data

wgk
WGK 3
safety_code
22-24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

UsesScutellarein Tetramethyl Ether can be used to inhibit breast cancer resistance protein (BCRP).

Upstream & downstream products

Downstream products

Suppliers89 total

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]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司18302135232 18302135232 · [email protected]

Additional notes

DefinitionChEBI: A tetramethoxyflavone that is the tetra-O-methyl derivative of scutellarein.

Related reactions

3 records
New reaction record

Compound notes

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