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Scutellarein 5mg

CAT: 0628-A12234-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12234-5Size:5 mg
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CAS Number
529-53-3

Chemical Information

Scutellarein

Scutellarein is flavone substituted with hydroxy groups at C-4', -5, -6 and -7. It has a role as a metabolite. It is functionally related to an apigenin. It is a conjugate acid of a scutellarein(1-).

CAS Number529-53-3
PubChem CID5281697
IUPAC Name5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC15H10O6
Molecular Weight286.24
XLogP1.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity439
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O
InChI
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
InChIKey
JVXZRQGOGOXCEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Scutellarein
CAS: 529-53-3
CID: 5281697
Formula: C15H10O6
MW: 286.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.24
XLogP31.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass286.04773803
Monoisotopic Mass286.04773803
Topological Polar Surface Area107 Ų
Heavy Atom Count21
Formal Charge0
Complexity439
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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