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Substance Name: Juglone
RN: 481-39-0
UNII: W6Q80SK9L6
InChIKey: KQPYUDDGWXQXHS-UHFFFAOYSA-N

Molecular Formula

  • C10-H6-O3

Molecular Weight

  • 174.1544
 

Classification Codes

  • Antineoplastic Agents
  • Cytotoxins
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Food Additives
  • Food Preservatives
  • Mutation Data
  • Natural Product
  • Noxae
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Juglone

Synonyms

  • 1,4-Naphthoquinone, 5-hydroxy-
  • 1,4-Naphthoquinone, 8-hydroxy-
  • 4-08-00-02368 (Beilstein Handbook Reference)
  • 5-Hydroxy-1,4-naftochinon
  • 5-Hydroxy-1,4-naftochinon [Czech]
  • 5-Hydroxy-1,4-naphthoquinone
  • 5-Hydroxy-1,4-naphthosemiquinone
  • 5-Hydroxynaphthoquinone
  • 8-Hydroxy-1,4-naphthoquinone
  • Akhnot
  • BRN 1909764
  • C.I. 75500
  • C.I. Natural Brown 7
  • Caswell No. 515AA
  • CCRIS 5423
  • EINECS 207-567-5
  • Juglon
  • Juglone
  • NSC 153189
  • NSC 622948
  • Nucin
  • Regianin
  • UNII-W6Q80SK9L6
  • Walnut extract
  • Yuglon

Systematic Names

  • 1,4-Naphthalenedione, 5-hydroxy-
  • 1,4-Naphthoquinone, 5-hydroxy- (8CI)
  • 5-Hydroxy-1,4-naphthalenedione
  • 5-Hydroxy-1,4-naphthoquinone
  • Juglone

Registry Numbers

CAS Registry Number

  • 481-39-0

FDA UNII

  • W6Q80SK9L6

System Generated Number

  • 0000481390

Structure Descriptors

InChI

1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H

InChIKey

KQPYUDDGWXQXHS-UHFFFAOYSA-N

Smiles

c12c(C(C=CC1=O)=O)c(ccc2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 10mg/kg (10mg/kg)   Toxicon. Vol. 6, Pg. 99, 1968.
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 74, 1982.
mouse LD50 oral 2500ug/kg (2.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Science. Vol. 134, Pg. 1617, 1961.
rat LD50 oral 112mg/kg (112mg/kg)   Voprosy Pitaniya. Problems of Nutrition. Vol. 42(5), Pg. 67, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 155 deg C   EXP
log P (octanol-water) 1.92 (none)   EXP
Water Solubility 5120 mg/L 25 EST
Vapor Pressure 6.34E-06 mm Hg 25 EST
Henry's Law Constant 2.58E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.52E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.