scoparon

scoparon
Compound Structure:
Synonyms: Scoparone; 120-08-1 ;6,7-DIMETHOXYCOUMARIN ;6,7-Dimethylesculetin ;Escoparone
Compound ID: NMPC-1471
PubChem ID:

8417

Molecular Formula: C11H10O4
Canonical SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
InChIKey: GUAFOGOEJLSQBT-UHFFFAOYSA-N
About the compound:

Scoparone is a natural organic compound with the molecular formula C11H10O4. It is found in the Chinese herb Artemisia scoparia and has been studied for its potential pharmacological properties including immunosuppression and vasorelaxation.[2][3] 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 a plant metabolite, an anti-inflammatory agent, an antilipemic drug, an immunosuppressive agent, an antihypertensive agent and an anti-allergic agent. It is a member of coumarins and an aromatic ether. It is functionally related to an esculetin.

GHS Hazard Statements

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

206.19 g/mol

XLogP3-AA

1.9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

2

Exact Mass

206.05790880 g/mol

Monoisotopic Mass

206.05790880 g/mol

Topological Polar Surface Area

44.8Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

274

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Melting Point

144 °C

Source: PubChem

Source Species: Euphorbia deightonii
Zanthoxylum zanthoxyloides
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