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Aromatic building blocks

Plumbagin

Also known as 5-hydroxy-2-methylnaphthalene-1,4-dione, Plumbagine, 5-Hydroxy-2-methyl-1,4-naphthoquinone

CAS 481-42-5Formula C11H8O3Molar mass 188.18 g/molEC 207-569-6
GHS signal word: Danger. Pictograms: Corrosive, Acute toxicity (severe) 57 suppliers listed
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Plumbagin chemical structure, C11H8O3, CAS 481-42-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
481-42-5
Formula
C11H8O3
Molar mass
188.18 g/mol
EC number
207-569-6
HS code
291469
Category
Aromatic building blocks

What is Plumbagin?

Plain description, key identifiers and synonyms

Plumbagin is 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. It has a role as a metabolite, an antineoplastic agent, an anticoagulant and an immunological adjuvant. It is a hydroxy-1,4-naphthoquinone and a member of phenols.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-hydroxy-2-methylnaphthalene-1,4-dione
CAS number
481-42-5 CAS number cross-checked
EC number
207-569-6
Molecular formula
C11H8O3
UNII
YAS4TBQ4OQ
MDL number
MFCD00001682
InChIKey
VCMMXZQDRFWYSE-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
SMILES (canonical and isomeric)
CC1=CC(=O)C2=C(C1=O)C=CC=C2O

Synonyms

  • 5-hydroxy-2-methylnaphthalene-1,4-dione
  • Plumbagine
  • 5-Hydroxy-2-methyl-1,4-naphthoquinone
  • 2-Methyljuglone
  • Plumbaein
  • Plumbagone
  • 5-Hydroxy-2-methyl-1,4-naphthalenedione
  • 2-Methyl-5-hydroxy-1,4-naphthoquinone
  • 5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione
  • PCUR-101
  • PCUR101
  • PCUR 101
  • Synthetic Plumbagin PCUR-101
  • 1,4-Naphthalenedione, 5-hydroxy-2-methyl-
  • 5-Hydroxy-2-methyl-[1,4]naphthoquinone
  • 5-Hydroxy-2-methyl-naphthalene-1,4-dione
  • 1,4-Naphthoquinone, 5-hydroxy-2-methyl-
  • Ophioxylin
  • Pumbagin
  • 5-Hydroxy-2-methylnaphthoquinone
  • Plumbagin (Standard)
  • 1, 5-hydroxy-2-methyl-
  • 4-08-00-02376 (Beilstein Handbook Reference)
  • Plumbagin from Plumbago indica
  • ACon1_001611
Show all 27 synonyms
  • 5- Hydroxy,2-methyl-1,4-naphtoquinone
  • Plumbagin2-Methyljuglone, 5-hydroxy-2-methylnaphthalene-1,4-dione, 5-Hydroxy-2-methyl-1,4-naphthoquinone

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
188.18 g/molcalc.
Exact mass
188.0473 Dacalc.
LogP (octanol/water)
1.72calc.
Topological polar surface area
54.37 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.09calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CC(=O)c2ccccc21

O=C1C=CC(=O)c2ccccc21

2 rings, 12 atoms, the 1,4-Naphthoquinone ring system.

875 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
  • H314Causes severe skin burns and eye damage.
  • H318Causes serious eye damage.
Precautionary statements (17)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P363Wash contaminated clothing before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Plumbagin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 57 suppliers
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Where suppliers are based

57 suppliers in 11 countries

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Plumbagin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Adjuvants, Immunologic
  • Anticoagulants
  • Antinematodal Agents
  • Antineoplastic Agents, Phytogenic
  • Cardiotonic Agents
  • Contraceptive Agents

Roles

  • adjuvant
  • anticoagulant
  • antineoplastic agent
  • hematologic agent
  • immunological adjuvant
  • immunomodulator
  • metabolite
  • pharmaceutical

Pharmacology

Plumbagin is a synthetic form of the plant-derived medicinal agent, plumbagin, with potential antineoplastic activity. Plumbagin may act by inhibiting the expression of protein kinase C epsilon (PKCe), signal transducers and activators of transcription 3 phosphorylation (Stat3), protein kinase B (AKT), and certain epithelial-to-mesenchymal transition (EMT) markers, including vimentin and slug. This results in possible inhibition of proliferation in susceptible tumor cells. PKCe, Stat3, AKT, and the EMT markers vimentin and slug have been linked to the induction and progression of prostate cancer.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Plumbagin is traded under.

HS 2914.69Indicative HS code

Quinones, other

World exports in 2024
$162M
−10.1% vs 2023, imports $157M
2019 to 2024
Top exporters
  1. China32.8%
  2. Netherlands29.3%
  3. Japan13.8%
Top importers
  1. United States23.0%
  2. India * partner reported16.1%
  3. Thailand7.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Plumbagin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Plumbagin, based on the data on this page

What is Plumbagin?

Plumbagin is 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. It has a role as a metabolite, an antineoplastic agent, an anticoagulant and an immunological adjuvant.

What is the CAS number of Plumbagin?

The CAS registry number of Plumbagin is 481-42-5.

What is the molecular formula and weight of Plumbagin?

The molecular formula of Plumbagin is C11H8O3 and its molar mass is 188.18 g/mol.

What is Plumbagin used for?

Known uses and roles of Plumbagin include building blocks in research and laboratory, screening compounds in research and laboratory, adjuvant, anticoagulant, antineoplastic agent and 11 more.

Is Plumbagin hazardous?

Plumbagin carries the GHS signal word "Danger". Main hazards: toxic if swallowed, causes severe skin burns and eye damage, causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Plumbagin?

Plumbagin is usually classified under HS code 291469 (Quinones, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Plumbagin?

CompoundList lists 57 suppliers of Plumbagin in United States, China, Hong Kong, Germany and 7 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Plumbagin?

Suppliers quote Plumbagin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Plumbagin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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