Apigenin-4',7-dimethyl ether

Apigenin-4',7-dimethyl ether
Compound Structure:
Synonyms: 5128-44-9;7,4'-Di-O-methylapigenin;Apigenin 7,4'-dimethyl ether;Apigenin dimethylether;Genkwanin 4'-methyl ether;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one;4',7-DIMETHOXY-5-HYDROXYFLAVONE;4',7-Dimethylapigenin
Compound ID: NMPC-589
PubChem ID:

5281601
Molecular Formula: C17H14O5
Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O
InChIKey: LZERJKGWTQYMBB-UHFFFAOYSA-N
About the compound:

Apigenin 7,4'-dimethyl ether is a dimethoxyflavone that is the 7,4'-dimethyl ether derivative of apigenin. It has a role as a plant metabolite. It is a dimethoxyflavone and a monohydroxyflavone. It is functionally related to an apigenin.
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

298.29 g/mol

XLogP3

2.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

3

Exact Mass

298.08412354 g/mol

Monoisotopic Mass

298.08412354 g/mol

Topological Polar Surface Area

65Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

438

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Talinum triangulare
Download SDF