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

CAT: 0013-GTR19164936-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164936-01Size:1 mg
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Description
This compound is a weak inhibitor of the ABCG2 transporter, exhibiting IC50 values of 3.27 μM and 3.89 μM in Hoechst 33342 and pheophorbide A efflux assays, respectively. It is a useful research tool for studying multidrug resistance mechanisms and modulating drug bioavailability in cellular models.
CAS Number
19056-75-8
Field of Research
Pharmacology & Drug Discovery
Purity
98.50% (May vary between batches)
Smiles
O=C1C (OC) =C (OC=2C=C (OC) C=C (O) C12) C=3C=CC (OC) =CC3OC
Molecular Formula
C19H18O7
Molecular Weight
358.34
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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