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Cirsiliol

CAT: 1410-M31519-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Cirsiliol is a selective inhibitor of 5-lipoxygenase and a competitive low-affinity ligand of benzodiazepine receptors.
CAS Number
34334-69-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
330.29
Molecular Formula
C17H14O7
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Cirsiliol

Cirsiliol is a dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5, 3' and 4' respectively. It has a role as a plant metabolite. It is a dimethoxyflavone and a trihydroxyflavone. It is functionally related to a flavone.

CAS Number34334-69-5
PubChem CID160237
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
Molecular FormulaC17H14O7
Molecular Weight330.29
XLogP2.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity505
SMILES
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC
InChI
InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3
InChIKey
IMEYGBIXGJLUIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cirsiliol
CAS: 34334-69-5
CID: 160237
Formula: C17H14O7
MW: 330.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight330.29
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass330.07395278
Monoisotopic Mass330.07395278
Topological Polar Surface Area105 Ų
Heavy Atom Count24
Formal Charge0
Complexity505
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