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Substance Name: Prunetin
RN: 552-59-0
UNII: 1TG4H5H11J
InChIKey: KQMVAGISDHMXJJ-UHFFFAOYSA-N

Note

  • Reduces herpes virus-1 plaque formation.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-O5

Molecular Weight

  • 284.2658
 
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Names and Synonyms

Name of Substance

  • Prunetin

Synonyms

  • 5,4'-Dihydroxy-7-methoxyisoflavone
  • 5-18-04-00595 (Beilstein Handbook Reference)
  • 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
  • BRN 0292155
  • CCRIS 8951
  • EINECS 209-018-5
  • Prunetin (6CI)
  • UNII-1TG4H5H11J

Systematic Names

  • 4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-
  • 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone
  • Isoflavone, 4',5-dihydroxy-7-methoxy- (7CI,8CI)

Registry Numbers

CAS Registry Number

  • 552-59-0

FDA UNII

  • 1TG4H5H11J

System Generated Number

  • 0000552590

Structure Descriptors

InChI

1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

InChIKey

KQMVAGISDHMXJJ-UHFFFAOYSA-N

Smiles

c1(c2c(cc(cc2O)OC)occ1c1ccc(cc1)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 51, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 239.5 deg C   EXP
log P (octanol-water) 3.410 (none)   EST
Atmospheric OH Rate Constant 2.32E-10 cm3/molecule-sec 25 EST

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