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Substance Name: Terreic acid
RN: 121-40-4
UNII: XM2Y0DRJ7D
InChIKey: ATFNSNUJZOYXFC-RQJHMYQMSA-N

Note

  • Antibiotic metabolite of mold Aspergillus terreus.

Molecular Formula

  • C7-H6-O4

Molecular Weight

  • 154.12
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product
  • Protein Tyrosine Kinase Inhibitors
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Names and Synonyms

Name of Substance

  • Terreic acid

Synonyms

  • (-)-Terreic Acid
  • (1R)-3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione
  • 2-Hydroxy-3-methyl-1,4-benzoquinone 5,6-epoxide
  • 5,6-Epoxy-3-hydroxy-p-toluquinone
  • 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, stereoisomer
  • NSC 294734
  • Terreic acid
  • UNII-XM2Y0DRJ7D

Systematic Names

  • (1R,6S)-3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione
  • 3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione
  • 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, (1R)-

Registry Numbers

CAS Registry Number

  • 121-40-4

FDA UNII

  • XM2Y0DRJ7D

System Generated Number

  • 0000121404

Structure Descriptors

InChI

1S/C7H6O4/c1-2-3(8)5(10)7-6(11-7)4(2)9/h6-8H,1H3/t6-,7+/m1/s1

InChIKey

ATFNSNUJZOYXFC-RQJHMYQMSA-N

Smiles

O1[C@@H]2[C@H]1C(=O)C(=C(C2=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Japanese Journal of Antibiotics. Vol. 33, Pg. 320, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 127 deg C   EXP
log P (octanol-water) 1.890 (none)   EST
Atmospheric OH Rate Constant 9.08E-11 cm3/molecule-sec 25 EST

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