Chemical substance record

Rubiadin

117-02-2C₁₅H₁₀O₄254.241 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 3 and a methyl group at position 2. It has been isolated from Rubia yunnanensis. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	117-02-2	ChEBI ↗
Molecular formula	C₁₅H₁₀O₄	ChEBI ↗
Molar mass	254.241 g/mol	ChEBI ↗
Monoisotopic mass	254.05791 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:69533	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	254.24 g/mol	PubChem ↗
Exact mass	254.05790880 Da	PubChem ↗
Computed XLogP	3.1	PubChem ↗
Topological polar surface area (Å²)	74.6	PubChem ↗
H-bond donors	2	PubChem ↗
H-bond acceptors	4	PubChem ↗
Rotatable bonds	0	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

rubiadin

IUPAC name

1,3-dihydroxy-2-methylanthracene-9,10-dione

InChIKey

IRZTUXPRIUZXMP-UHFFFAOYSA-N

SMILES

Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O

InChI

InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3

Names & synonyms

1,3-dihydroxy-2-methylanthracene-9,10-dione

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

Classification & relationships

ChEBI ontology

dihydroxyanthraquinoneChEBI parent class · 37484 ↗

ketone phenols organic molecular entity

Roles recorded in ChEBI

antioxidantantibacterial agenthepatoprotective 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

0.00393328 mol

Uses 254.241 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 · 15 atoms

70.86%

O

Oxygen · 4 atoms

25.17%

H

Hydrogen · 10 atoms

3.96%

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

Comparison of the antioxidant action of the alcoholic extract of Rubia cordifolia with rubiadin. ↗Indian journal of biochemistry & biophysics · 1998 Oct · PMID 10410466

Hepatoprotective effects of rubiadin, a major constituent of Rubia cordifolia Linn. ↗Journal of ethnopharmacology · 2006 Feb 20 · PMID 16213120

KR20120033699 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:69533

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

Additional molecular descriptorsNCBI PubChem · CID 124062 · 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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