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5-Hydroxy-2′,3,4′,7-tetramethoxyflavone

CAT: 1410-M29500-01Size: 1 EachDry Ice: NoHazardous: No
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Description
5-Hydroxy-2′,3,4′,7-tetramethoxyflavone shows weak ABCG2 inhibitory potency with IC50s of 3.27 and 3.89 µM in the Hoechst 33342 and pheophorbide A assays.
CAS Number
19056-75-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
358.34
Molecular Weight
C19H18O7
Notes
Research use only, not for human use.
Receptor
ABC

Chemical Information

3,7,2',4'-Tetramethoxy-5-hydroxyflavone
CAS Number19056-75-8
PubChem CID70686876
IUPAC Name2-(2,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
Molecular FormulaC19H18O7
Molecular Weight358.3
XLogP2.8
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity546
SMILES
COC1=CC(=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC
InChI
InChI=1S/C19H18O7/c1-22-10-5-6-12(14(8-10)24-3)18-19(25-4)17(21)16-13(20)7-11(23-2)9-15(16)26-18/h5-9,20H,1-4H3
InChIKey
VHQCDGLXBNYODC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,7,2',4'-Tetramethoxy-5-hydroxyflavone
CAS: 19056-75-8
CID: 70686876
Formula: C19H18O7
MW: 358.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight358.3
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass358.10525291
Monoisotopic Mass358.10525291
Topological Polar Surface Area83.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity546
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