Chemical substance record

Scoparone

120-08-1C₁₁H₁₀O₄206.197 g/mol

Organic/Inorganic Small MoleculeChEBI source record

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. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	120-08-1	ChEBI ↗
Molecular formula	C₁₁H₁₀O₄	ChEBI ↗
Molar mass	206.197 g/mol	ChEBI ↗
Monoisotopic mass	206.05791 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:9055	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	206.19 g/mol	PubChem ↗
Exact mass	206.05790880 Da	PubChem ↗
Computed XLogP	1.9	PubChem ↗
Topological polar surface area (Å²)	44.8	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	4	PubChem ↗
Rotatable bonds	2	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

scoparone

IUPAC name

6,7-dimethoxy-2H-chromen-2-one

InChIKey

GUAFOGOEJLSQBT-UHFFFAOYSA-N

SMILES

COc1cc2ccc(=O)oc2cc1OC

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

Names & synonyms

6,7-dimethoxy-2H-chromen-2-one

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

coumarinsChEBI parent class · 23403 ↗aromatic etherChEBI parent class · 35618 ↗

ether organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antihypertensive agentantilipemic drugimmunosuppressive agentanti-allergic agentanti-inflammatory agentplant metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00484973 mol

Uses 206.197 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 11 atoms

64.08%

O

Oxygen · 4 atoms

31.04%

H

Hydrogen · 10 atoms

4.89%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

[A fluorometic test for microsomal monooxygenase activity in the rat liver with scoparone as substrate (author's transl)]. ↗Zeitschrift fur Naturforschung. Section C, Biosciences · 1979 May-Jun · PMID 157008

Vasorelaxants from Chinese herbs, emodin and scoparone, possess immunosuppressive properties. ↗European journal of pharmacology · 1991 Jun 6 · PMID 1830846

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:9055

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 8417 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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