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Substance Name: Flavone
RN: 525-82-6
UNII: S2V45N7G3B
InChIKey: VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C15-H10-O2

Molecular Weight

  • 222.242
 
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Names and Synonyms

Name of Substance

  • Flavone

Synonyms

  • 2-Phenyl-4-benzopyron
  • 2-Phenyl-4-chromone
  • 2-Phenyl-4H-1-benzopyran-4-one
  • 2-Phenyl-4H-chromen-4-on
  • 2-Phenyl-gamma-benzopyrone
  • 2-Phenylchromone
  • 5-17-10-00552 (Beilstein Handbook Reference)
  • Asmacoril
  • BRN 0157598
  • CCRIS 4288
  • Chromocor
  • Cromaril
  • Cromarile
  • EINECS 208-383-8
  • Flavone
  • NSC 19028
  • Phenylchromone
  • UNII-S2V45N7G3B

Systematic Names

  • 4H-1-Benzopyran-4-one, 2-phenyl-
  • Flavone
  • Flavone (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 525-82-6

FDA UNII

  • S2V45N7G3B

Other Registry Number

  • 11091-19-3

System Generated Number

  • 0000525826

Structure Descriptors

InChI

1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

InChIKey

VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Smiles

c12c(oc(c3ccccc3)cc1=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 400mg/kg (400mg/kg)   Antibiotics and Chemotherapy Vol. 3, Pg. 603, 1953.
mouse LD50 intraperitoneal 380mg/kg (380mg/kg)   Farmaco, Edizione Scientifica. Vol. 13, Pg. 561, 1958.
mouse LD50 oral 2500mg/kg (2500mg/kg)   Journal of Heterocyclic Chemistry. Vol. 21, Pg. 193, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 100 deg C   EXP
log P (octanol-water) 3.56 (none)   EXP
Water Solubility 30.5 mg/L 25 EST
Vapor Pressure 9.52E-06 mm Hg 25 EST
Henry's Law Constant 3.61E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.19E-11 cm3/molecule-sec 25 EST

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