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Scoparone

CAT: 0013-GTR19174677-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19174677-01Size:1 ml x 10 mM (in DMSO)
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Description
Scoparone
CAS Number
120-08-1
Product Name Alternative
Scoparon, Scoparone, Aesculetin dimethyl ether, 6,7-dimethoxycoumarin, 6,7-Dimethylesculetin, Inhibitor, Escoparone, inhibit
Purity
97.31% (May vary between batches)
Solubility
DMSO:25 mg/mL (121.25 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (9.7 mM)
Smiles
COc1cc2ccc (=O) oc2cc1OC
Molecular Formula
C11H10O4
Molecular Weight
206.19
Storage Conditions
-20°C
Notes
For research use only.

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
Loading 3D structure...
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

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