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Cirsiliol

CAT: 0931-T10821-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T10821-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34334-69-5
Target
Lipoxygenase, Apoptosis
Related Pathways
Metabolism, Apoptosis
Purity
0.9924
Bioactivity
Cirsiliol is a 5-lipoxygenase (5-LOX) inhibitor and low affinity benzodiazepine receptor ligand.Cirsiliol inhibits cell proliferation and promotes apoptosis of OS cells.Cirsiliol shows antitumor activity against OS cells in an in situ xenograft tumor model and can be used to study colon cancer.
Smiles
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1
Molecular Formula
C17H14O7
Molecular Weight
330.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

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