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Chemical substance record

Plumbagin

481-42-5C11H8O3188.182 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number481-42-5ChEBI ↗
Molecular formulaC11H8O3ChEBI ↗
Molar mass188.182 g/molChEBI ↗
Monoisotopic mass188.04734 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:8273ChEBI ↗

Cross-source molecular data

PubChem
Molar mass188.18 g/molPubChem ↗
Exact mass188.047344113 DaPubChem ↗
Computed XLogP2.3PubChem ↗
Topological polar surface area (Ų)54.4PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors3PubChem ↗
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
plumbagin
5-hydroxy-2-methylnaphthalene-1,4-dione
VCMMXZQDRFWYSE-UHFFFAOYSA-N
CC1=CC(=O)c2c(O)cccc2C1=O
InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3

Names & synonyms

5-hydroxy-2-methylnaphthalene-1,4-dione

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

Classification & relationships

ChEBI ontology
hydroxy-1,4-naphthoquinoneChEBI parent class · 132157 ↗phenolsChEBI parent class · 33853 ↗
ketonephenolsorganic molecular entity

Roles recorded in ChEBI

metaboliteantineoplastic agentanticoagulantimmunological adjuvant

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
0.005314 mol

Uses 188.182 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
70.21%
O
Oxygen · 3 atoms
25.51%
H
Hydrogen · 8 atoms
4.29%

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
Cytotoxic action of juglone and plumbagin: a mechanistic study using HaCaT keratinocytes. ↗Chemical research in toxicology · 2004 Jan · PMID 14727919
Antimicrobial activity in vitro of plumbagin isolated from Plumbago species. ↗Memorias do Instituto Oswaldo Cruz · 2003 Oct · PMID 14762525
CN1473468 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
IN183682 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
IN191797 · 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
EMBL-EBI ChEBI · CHEBI:8273

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

NCBI PubChem · CID 10205 · 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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