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3-Hydroxy-5,7,4′-trimethoxyflavone (Standard)

CAT: 0804-HY-N3432RSize: 1 EachDry Ice: NoHazardous: No
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Description
3-Hydroxy-5,7,4′-trimethoxyflavone (Standard) is the analytical standard of 3-Hydroxy-5,7,4′-trimethoxyflavone. This product is intended for research and analytical applications. 3-Hydroxy-5,7,4′-trimethoxyflavone is a flavonol can be isolated from Cucubalus baccifer (L.).
CAS Number
1098-92-6
Target
Others; Reference Standards
Related Pathways
Others
Field of Research
Others
Smiles
COC1=C2C(OC(C3=CC=C(OC)C=C3)=C(O)C2=O)=CC(OC)=C1
Molecular Formula
C18H16O6
Molecular Weight
328.32
References & Citations
[1]Yu Q L, et al. 3-Hydroxy-5, 7, 4′-trimethoxyflavone monohydrate from Cucubalus baccifier (L.) [J]. Acta Crystallographica Section E: Structure Reports Online, 2006, 62 (7) : o2910-o2911.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

3-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one has been reported in Eucalyptus globulus, Aglaia perviridis, and Meistera koenigii with data available.

CAS Number1098-92-6
PubChem CID624831
IUPAC Name3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC18H16O6
Molecular Weight328.3
XLogP2.3
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity494
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O
InChI
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,20H,1-3H3
InChIKey
SGPXJCVFCJANKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CAS: 1098-92-6
CID: 624831
Formula: C18H16O6
MW: 328.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.3
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass328.09468823
Monoisotopic Mass328.09468823
Topological Polar Surface Area74.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity494
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

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