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Acacetin

CAT: 1596-AR-A04738-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
480-44-4

Chemical Information

Acacetin

5,7-dihydroxy-4'-methoxyflavone is a monomethoxyflavone that is the 4'-methyl ether derivative of apigenin. It has a role as an anticonvulsant and a plant metabolite. It is a monomethoxyflavone and a dihydroxyflavone. It is functionally related to an apigenin. It is a conjugate acid of a 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate.

CAS Number480-44-4
PubChem CID5280442
IUPAC Name5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC16H12O5
Molecular Weight284.26
XLogP2.1
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity424
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
InChIKey
DANYIYRPLHHOCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acacetin
CAS: 480-44-4
CID: 5280442
Formula: C16H12O5
MW: 284.26
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.26
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass284.06847348
Monoisotopic Mass284.06847348
Topological Polar Surface Area76 Ų
Heavy Atom Count21
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
N2109-5.1Acacetin

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