Plumbagin

CAS Registry Number®

481-42-5

CAS Name

Plumbagin

Molecular Formula

C11H8O3

Molecular Mass

188.18

Cite this Page

Plumbagin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=481-42-5 (retrieved 2025-07-10) (CAS RN: 481-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    70-90 °C

  • Melting Point (2)

    78.5 °C

  • Density (3)

    1.380 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3

InChIKey

InChIKey=VCMMXZQDRFWYSE-UHFFFAOYSA-N

SMILES

O=C1C=2C(C(=O)C=C1C)=C(O)C=CC2

Canonical SMILES

O=C1C=C(C(=O)C=2C=CC=C(O)C12)C

Other Names for this Substance

  • 1,4-Naphthalenedione, 5-hydroxy-2-methyl-
  • Plumbagin
  • 1,4-Naphthoquinone, 5-hydroxy-2-methyl-
  • 5-Hydroxy-2-methyl-1,4-naphthalenedione
  • 5-Hydroxy-2-methyl-1,4-naphthoquinone

View All

CAS INSIGHTSTM
Aspergillus fungus, computer illustration. This is a toxic fungus that causes diseases in humans.