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Chemical substance record

Emodin

518-82-1C15H10O5270.24 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number518-82-1ChEBI ↗
Molecular formulaC15H10O5ChEBI ↗
Molar mass270.24 g/molChEBI ↗
Monoisotopic mass270.05282 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:42223ChEBI ↗

Cross-source molecular data

PubChem
Molar mass270.24 g/molPubChem ↗
Exact mass270.05282342 DaPubChem ↗
Computed XLogP2.7PubChem ↗
Topological polar surface area (Ų)94.8PubChem ↗
H-bond donors3PubChem ↗
H-bond acceptors5PubChem ↗
Rotatable bonds0PubChem ↗

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

Copy any identifier
emodin
1,3,8-trihydroxy-6-methylanthra-9,10-quinone
RHMXXJGYXNZAPX-UHFFFAOYSA-N
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

Names & synonyms

1,3,8-trihydroxy-6-methylanthra-9,10-quinone

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

Classification & relationships

ChEBI ontology
trihydroxyanthraquinoneChEBI parent class · 37488 ↗
ketonephenolsorganic molecular entity

Roles recorded in ChEBI

antineoplastic agenttyrosine kinase inhibitorlaxativeplant 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
Equivalent amount
0.00370041 mol

Uses 270.24 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
66.67%
O
Oxygen · 5 atoms
29.60%
H
Hydrogen · 10 atoms
3.73%

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
NTP Toxicology and Carcinogenesis Studies of EMODIN (CAS NO. 518-82-1) Feed Studies in F344/N Rats and B6C3F1 Mice. ↗National Toxicology Program technical report series · 2001 Jun · PMID 12563347
Celecoxib acts in a cyclooxygenase-2-independent manner and in synergy with emodin to suppress rat cholangiocarcinoma growth in vitro through a mechanism involving enhanced Akt inactivation and increased activation of caspases-9 and -3. ↗Molecular cancer therapeutics · 2003 Mar · PMID 12657721
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:42223

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

NCBI PubChem · CID 3220 · 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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