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Substance Name: Ipomeanol
RN: 32954-58-8
InChIKey: RJYQLMILDVERHH-UHFFFAOYSA-N

Note

  • Lung-toxic furanoterpenoid produced in moldy sweet potatoes in response to fungus infection.

Classification Codes

  • Antineoplastic Agents
  • Natural Product

Molecular Formula

  • C9-H12-O3

Molecular Weight

  • 168.1908
 
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Names and Synonyms

Name of Substance

  • 4-Ipomeanol
  • Ipomeanol

Synonyms

  • 1-(3-Furyl)-4-hydroxy-1-pentanone
  • 1-(3-Furyl)-4-hydroxy-4-pentanone
  • 1-(3-Furyl)-4-hydroxypentanone
  • 1-(beta-Furyl)-4-hydroxypentanone
  • 1-Pentanone, 1-(3-furanyl)-4-hydroxy-
  • 1-Pentanone, 1-(3-furyl)-4-hydroxy-
  • 4-Ipomeanol
  • CCRIS 705
  • HSDB 3498
  • Ipomeanol
  • Pentanone, 1-(3-furyl)-4-hydroxy-

Systematic Names

  • 1-(3-Furanyl)-4-hydroxy-1-pentanone
  • 4-Ipomeanol
  • Pentanone, 1-(3-furyl)-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 32954-58-8

System Generated Number

  • 0032954588

Structure Descriptors

InChI

1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3

InChIKey

RJYQLMILDVERHH-UHFFFAOYSA-N

Smiles

CC(CCC(=O)c1ccoc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 24mg/kg (24mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
National Technical Information Service. Vol. PB87-134466,
mouse LD50 intraperitoneal 11mg/kg (11mg/kg) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toxicology and Applied Pharmacology. Vol. 66, Pg. 193, 1982.
mouse LD50 intravenous 21mg/kg (21mg/kg) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION

VASCULAR: OTHER CHANGES
Biochimica et Biophysica Acta. Vol. 337, Pg. 184, 1974.
mouse LD50 oral 38mg/kg (38mg/kg) LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION

VASCULAR: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Biochimica et Biophysica Acta. Vol. 337, Pg. 184, 1974.
quail LD50 intraperitoneal 75mg/kg (75mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" Toxicology and Applied Pharmacology. Vol. 65, Pg. 38, 1982.
rabbit LD50 intraperitoneal 30mg/kg (30mg/kg) BEHAVIORAL: TOLERANCE Toxicology. Vol. 19, Pg. 85, 1981.
rat LD50 intraperitoneal 17mg/kg (17mg/kg) BEHAVIORAL: TOLERANCE Toxicology. Vol. 19, Pg. 85, 1981.
rat LDLo intravenous 15mg/kg (15mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
National Technical Information Service. Vol. PB87-134466,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.84 (none)   EXP
Water Solubility 3.89E+04 mg/L 25 EST
Vapor Pressure 6.32E-04 mm Hg 25 EST
Henry's Law Constant 8.37E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.09E-11 cm3/molecule-sec 25 EST

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