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Scoparone

CAT: 0607-N2328-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-N2328-20Size:20 mg
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CAS Number
120-08-1
Product Name Alternative
6,7-dimethoxychromen-2-one
Field of Research
Natural Products
Purity
0.9987
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥8.35 mg/mL in DMSO
Smiles
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
Molecular Formula
C11H10O4
Molecular Weight
206.2
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Scoparone

Scoparone is a member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. It has a role as an antihypertensive agent, an antilipemic drug, an immunosuppressive agent, an anti-allergic agent, an anti-inflammatory agent and a plant metabolite. It is a member of coumarins and an aromatic ether. It is functionally related to an esculetin.

CAS Number120-08-1
PubChem CID8417
IUPAC Name6,7-dimethoxychromen-2-one
Molecular FormulaC11H10O4
Molecular Weight206.19
XLogP1.9
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity274
SMILES
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
InChI
InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
InChIKey
GUAFOGOEJLSQBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Scoparone
CAS: 120-08-1
CID: 8417
Formula: C11H10O4
MW: 206.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.19
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass206.05790880
Monoisotopic Mass206.05790880
Topological Polar Surface Area44.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity274
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

Alternative Products

CatalogName
289331-01Scoparone

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